2024-03-28T13:33:42,092 Created temporary directory: /tmp/pip-build-tracker-ahljiofp 2024-03-28T13:33:42,093 Initialized build tracking at /tmp/pip-build-tracker-ahljiofp 2024-03-28T13:33:42,094 Created build tracker: /tmp/pip-build-tracker-ahljiofp 2024-03-28T13:33:42,094 Entered build tracker: /tmp/pip-build-tracker-ahljiofp 2024-03-28T13:33:42,095 Created temporary directory: /tmp/pip-wheel-3tk2x5ek 2024-03-28T13:33:42,098 Created temporary directory: /tmp/pip-ephem-wheel-cache-2v71unq8 2024-03-28T13:33:42,120 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-03-28T13:33:42,123 2 location(s) to search for versions of qsprpred: 2024-03-28T13:33:42,123 * https://pypi.org/simple/qsprpred/ 2024-03-28T13:33:42,123 * https://www.piwheels.org/simple/qsprpred/ 2024-03-28T13:33:42,124 Fetching project page and analyzing links: https://pypi.org/simple/qsprpred/ 2024-03-28T13:33:42,125 Getting page https://pypi.org/simple/qsprpred/ 2024-03-28T13:33:42,126 Found index url https://pypi.org/simple/ 2024-03-28T13:33:42,337 Fetched page https://pypi.org/simple/qsprpred/ as application/vnd.pypi.simple.v1+json 2024-03-28T13:33:42,338 Skipping link: No binaries permitted for qsprpred: https://files.pythonhosted.org/packages/56/63/a5b0447d3a8e8169c6d24fdfc8cf3800b7b7b7ace7a76ce95fac04aa5b5e/qsprpred-3.0.2-py3-none-any.whl (from https://pypi.org/simple/qsprpred/) (requires-python:>=3.10) 2024-03-28T13:33:42,339 Found link https://files.pythonhosted.org/packages/6f/1e/bc3fedb0f2b84474988d2a0115d4e488ddd98c8f81815de39d8e45d9d03a/qsprpred-3.0.2.tar.gz (from https://pypi.org/simple/qsprpred/) (requires-python:>=3.10), version: 3.0.2 2024-03-28T13:33:42,340 Fetching project page and analyzing links: https://www.piwheels.org/simple/qsprpred/ 2024-03-28T13:33:42,341 Getting page https://www.piwheels.org/simple/qsprpred/ 2024-03-28T13:33:42,342 Found index url https://www.piwheels.org/simple/ 2024-03-28T13:33:42,550 Fetched page https://www.piwheels.org/simple/qsprpred/ as text/html 2024-03-28T13:33:42,551 Skipping link: not a file: https://www.piwheels.org/simple/qsprpred/ 2024-03-28T13:33:42,552 Skipping link: not a file: https://pypi.org/simple/qsprpred/ 2024-03-28T13:33:42,570 Given no hashes to check 1 links for project 'qsprpred': discarding no candidates 2024-03-28T13:33:42,588 Collecting qsprpred==3.0.2 2024-03-28T13:33:42,590 Created temporary directory: /tmp/pip-unpack-7xb42a4v 2024-03-28T13:33:42,812 Downloading qsprpred-3.0.2.tar.gz (3.6 MB) 2024-03-28T13:33:44,942 Added qsprpred==3.0.2 from https://files.pythonhosted.org/packages/6f/1e/bc3fedb0f2b84474988d2a0115d4e488ddd98c8f81815de39d8e45d9d03a/qsprpred-3.0.2.tar.gz to build tracker '/tmp/pip-build-tracker-ahljiofp' 2024-03-28T13:33:44,951 Created temporary directory: /tmp/pip-build-env-pkqm2szg 2024-03-28T13:33:44,956 Installing build dependencies: started 2024-03-28T13:33:44,957 Running command pip subprocess to install build dependencies 2024-03-28T13:33:46,223 Using pip 24.0 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11) 2024-03-28T13:33:46,796 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-03-28T13:33:48,624 Collecting setuptools>=61.0 2024-03-28T13:33:48,658 Using cached https://www.piwheels.org/simple/setuptools/setuptools-69.2.0-py3-none-any.whl (821 kB) 2024-03-28T13:33:49,007 Collecting setuptools_scm>=7.1 (from setuptools_scm[toml]>=7.1) 2024-03-28T13:33:49,029 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-8.0.4-py3-none-any.whl (42 kB) 2024-03-28T13:33:49,411 Collecting packaging>=20 (from setuptools_scm>=7.1->setuptools_scm[toml]>=7.1) 2024-03-28T13:33:49,431 Using cached https://www.piwheels.org/simple/packaging/packaging-24.0-py3-none-any.whl (53 kB) 2024-03-28T13:33:49,551 Collecting typing-extensions (from setuptools_scm>=7.1->setuptools_scm[toml]>=7.1) 2024-03-28T13:33:49,568 Using cached https://www.piwheels.org/simple/typing-extensions/typing_extensions-4.10.0-py3-none-any.whl (33 kB) 2024-03-28T13:33:52,352 Installing collected packages: typing-extensions, setuptools, packaging, setuptools_scm 2024-03-28T13:33:55,203 Successfully installed packaging-24.0 setuptools-69.2.0 setuptools_scm-8.0.4 typing-extensions-4.10.0 2024-03-28T13:33:55,791 Installing build dependencies: finished with status 'done' 2024-03-28T13:33:56,012 Getting requirements to build wheel: started 2024-03-28T13:33:56,013 Running command Getting requirements to build wheel 2024-03-28T13:33:56,978 running egg_info 2024-03-28T13:33:56,984 writing qsprpred.egg-info/PKG-INFO 2024-03-28T13:33:56,994 writing dependency_links to qsprpred.egg-info/dependency_links.txt 2024-03-28T13:33:56,999 writing requirements to qsprpred.egg-info/requires.txt 2024-03-28T13:33:57,001 writing top-level names to qsprpred.egg-info/top_level.txt 2024-03-28T13:33:57,102 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2024-03-28T13:33:57,105 reading manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-03-28T13:33:57,113 reading manifest template 'MANIFEST.in' 2024-03-28T13:33:57,186 warning: no files found matching 'test_data/*.*' under directory 'qsprpred' 2024-03-28T13:33:57,357 warning: no files found matching '*.txt' under directory 'qsprpred' 2024-03-28T13:33:57,408 warning: no files found matching '*.md' under directory 'qsprpred' 2024-03-28T13:33:57,409 adding license file 'LICENSE' 2024-03-28T13:33:57,419 writing manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-03-28T13:33:57,537 Getting requirements to build wheel: finished with status 'done' 2024-03-28T13:33:57,549 Installing backend dependencies: started 2024-03-28T13:33:57,550 Running command pip subprocess to install backend dependencies 2024-03-28T13:33:58,728 Using pip 24.0 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11) 2024-03-28T13:33:59,272 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-03-28T13:34:00,105 Collecting wheel 2024-03-28T13:34:00,122 Using cached https://www.piwheels.org/simple/wheel/wheel-0.43.0-py3-none-any.whl (65 kB) 2024-03-28T13:34:02,385 Installing collected packages: wheel 2024-03-28T13:34:02,630 Creating /tmp/pip-build-env-pkqm2szg/normal/local/bin 2024-03-28T13:34:02,633 changing mode of /tmp/pip-build-env-pkqm2szg/normal/local/bin/wheel to 755 2024-03-28T13:34:02,653 Successfully installed wheel-0.43.0 2024-03-28T13:34:03,182 Installing backend dependencies: finished with status 'done' 2024-03-28T13:34:03,184 Created temporary directory: /tmp/pip-modern-metadata-yph7de83 2024-03-28T13:34:03,187 Preparing metadata (pyproject.toml): started 2024-03-28T13:34:03,188 Running command Preparing metadata (pyproject.toml) 2024-03-28T13:34:04,376 running dist_info 2024-03-28T13:34:04,384 creating /tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info 2024-03-28T13:34:04,391 writing /tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info/PKG-INFO 2024-03-28T13:34:04,405 writing dependency_links to /tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info/dependency_links.txt 2024-03-28T13:34:04,411 writing requirements to /tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info/requires.txt 2024-03-28T13:34:04,412 writing top-level names to /tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info/top_level.txt 2024-03-28T13:34:04,414 writing manifest file '/tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info/SOURCES.txt' 2024-03-28T13:34:04,512 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2024-03-28T13:34:04,515 reading manifest file '/tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info/SOURCES.txt' 2024-03-28T13:34:04,517 reading manifest template 'MANIFEST.in' 2024-03-28T13:34:04,586 warning: no files found matching 'test_data/*.*' under directory 'qsprpred' 2024-03-28T13:34:04,759 warning: no files found matching '*.txt' under directory 'qsprpred' 2024-03-28T13:34:04,818 warning: no files found matching '*.md' under directory 'qsprpred' 2024-03-28T13:34:04,819 adding license file 'LICENSE' 2024-03-28T13:34:04,824 writing manifest file '/tmp/pip-modern-metadata-yph7de83/qsprpred.egg-info/SOURCES.txt' 2024-03-28T13:34:04,826 creating '/tmp/pip-modern-metadata-yph7de83/qsprpred-3.0.2.dist-info' 2024-03-28T13:34:04,993 Preparing metadata (pyproject.toml): finished with status 'done' 2024-03-28T13:34:04,998 Source in /tmp/pip-wheel-3tk2x5ek/qsprpred_62bf68763aa54429b725454bca5faf22 has version 3.0.2, which satisfies requirement qsprpred==3.0.2 from https://files.pythonhosted.org/packages/6f/1e/bc3fedb0f2b84474988d2a0115d4e488ddd98c8f81815de39d8e45d9d03a/qsprpred-3.0.2.tar.gz 2024-03-28T13:34:04,999 Removed qsprpred==3.0.2 from https://files.pythonhosted.org/packages/6f/1e/bc3fedb0f2b84474988d2a0115d4e488ddd98c8f81815de39d8e45d9d03a/qsprpred-3.0.2.tar.gz from build tracker '/tmp/pip-build-tracker-ahljiofp' 2024-03-28T13:34:05,006 Created temporary directory: /tmp/pip-unpack-lpq5g4s3 2024-03-28T13:34:05,007 Created temporary directory: /tmp/pip-unpack-bg6rli2q 2024-03-28T13:34:05,076 Building wheels for collected packages: qsprpred 2024-03-28T13:34:05,082 Created temporary directory: /tmp/pip-wheel-8ndu9vq4 2024-03-28T13:34:05,082 Destination directory: /tmp/pip-wheel-8ndu9vq4 2024-03-28T13:34:05,084 Building wheel for qsprpred (pyproject.toml): started 2024-03-28T13:34:05,085 Running command Building wheel for qsprpred (pyproject.toml) 2024-03-28T13:34:06,165 running bdist_wheel 2024-03-28T13:34:06,188 running build 2024-03-28T13:34:06,188 running build_py 2024-03-28T13:34:06,195 creating build 2024-03-28T13:34:06,195 creating build/lib 2024-03-28T13:34:06,196 creating build/lib/qsprpred 2024-03-28T13:34:06,197 copying qsprpred/__init__.py -> build/lib/qsprpred 2024-03-28T13:34:06,199 copying qsprpred/predict_CLI.py -> build/lib/qsprpred 2024-03-28T13:34:06,201 copying qsprpred/model_CLI.py -> build/lib/qsprpred 2024-03-28T13:34:06,204 copying qsprpred/_version.py -> build/lib/qsprpred 2024-03-28T13:34:06,205 copying qsprpred/data_CLI.py -> build/lib/qsprpred 2024-03-28T13:34:06,208 copying qsprpred/tasks.py -> build/lib/qsprpred 2024-03-28T13:34:06,211 creating build/lib/docs 2024-03-28T13:34:06,212 copying docs/style_guide.py -> build/lib/docs 2024-03-28T13:34:06,215 copying docs/conf.py -> build/lib/docs 2024-03-28T13:34:06,217 creating build/lib/qsprpred/data 2024-03-28T13:34:06,218 copying qsprpred/data/__init__.py -> build/lib/qsprpred/data 2024-03-28T13:34:06,221 creating build/lib/qsprpred/models 2024-03-28T13:34:06,222 copying qsprpred/models/monitors.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,225 copying qsprpred/models/__init__.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,227 copying qsprpred/models/model.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,230 copying qsprpred/models/metrics.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,232 copying qsprpred/models/scikit_learn.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,234 copying qsprpred/models/hyperparam_optimization.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,237 copying qsprpred/models/early_stopping.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,239 copying qsprpred/models/tests.py -> build/lib/qsprpred/models 2024-03-28T13:34:06,243 creating build/lib/qsprpred/utils 2024-03-28T13:34:06,244 copying qsprpred/utils/__init__.py -> build/lib/qsprpred/utils 2024-03-28T13:34:06,245 copying qsprpred/utils/serialization.py -> build/lib/qsprpred/utils 2024-03-28T13:34:06,248 copying qsprpred/utils/parallel.py -> build/lib/qsprpred/utils 2024-03-28T13:34:06,250 copying qsprpred/utils/stringops.py -> build/lib/qsprpred/utils 2024-03-28T13:34:06,252 copying qsprpred/utils/stopwatch.py -> build/lib/qsprpred/utils 2024-03-28T13:34:06,254 copying qsprpred/utils/inspect.py -> build/lib/qsprpred/utils 2024-03-28T13:34:06,256 copying qsprpred/utils/tests.py -> build/lib/qsprpred/utils 2024-03-28T13:34:06,258 creating build/lib/qsprpred/extra 2024-03-28T13:34:06,259 copying qsprpred/extra/__init__.py -> build/lib/qsprpred/extra 2024-03-28T13:34:06,261 creating build/lib/qsprpred/logs 2024-03-28T13:34:06,262 copying qsprpred/logs/__init__.py -> build/lib/qsprpred/logs 2024-03-28T13:34:06,264 copying qsprpred/logs/config.py -> build/lib/qsprpred/logs 2024-03-28T13:34:06,266 copying qsprpred/logs/utils.py -> build/lib/qsprpred/logs 2024-03-28T13:34:06,269 creating build/lib/qsprpred/benchmarks 2024-03-28T13:34:06,270 copying qsprpred/benchmarks/__init__.py -> build/lib/qsprpred/benchmarks 2024-03-28T13:34:06,272 copying qsprpred/benchmarks/replica.py -> build/lib/qsprpred/benchmarks 2024-03-28T13:34:06,274 copying qsprpred/benchmarks/runner.py -> build/lib/qsprpred/benchmarks 2024-03-28T13:34:06,276 copying qsprpred/benchmarks/tests.py -> build/lib/qsprpred/benchmarks 2024-03-28T13:34:06,279 creating build/lib/qsprpred/plotting 2024-03-28T13:34:06,280 copying qsprpred/plotting/grid_visualizers.py -> build/lib/qsprpred/plotting 2024-03-28T13:34:06,282 copying qsprpred/plotting/__init__.py -> build/lib/qsprpred/plotting 2024-03-28T13:34:06,284 copying qsprpred/plotting/regression.py -> build/lib/qsprpred/plotting 2024-03-28T13:34:06,286 copying qsprpred/plotting/base_plot.py -> build/lib/qsprpred/plotting 2024-03-28T13:34:06,288 copying qsprpred/plotting/classification.py -> build/lib/qsprpred/plotting 2024-03-28T13:34:06,290 copying qsprpred/plotting/tests.py -> build/lib/qsprpred/plotting 2024-03-28T13:34:06,293 creating build/lib/qsprpred/data/processing 2024-03-28T13:34:06,294 copying qsprpred/data/processing/__init__.py -> build/lib/qsprpred/data/processing 2024-03-28T13:34:06,296 copying qsprpred/data/processing/data_filters.py -> build/lib/qsprpred/data/processing 2024-03-28T13:34:06,298 copying qsprpred/data/processing/applicability_domain.py -> build/lib/qsprpred/data/processing 2024-03-28T13:34:06,300 copying qsprpred/data/processing/feature_standardizers.py -> build/lib/qsprpred/data/processing 2024-03-28T13:34:06,302 copying qsprpred/data/processing/tests.py -> build/lib/qsprpred/data/processing 2024-03-28T13:34:06,304 copying qsprpred/data/processing/feature_filters.py -> build/lib/qsprpred/data/processing 2024-03-28T13:34:06,306 copying qsprpred/data/processing/mol_processor.py -> build/lib/qsprpred/data/processing 2024-03-28T13:34:06,308 creating build/lib/qsprpred/data/tables 2024-03-28T13:34:06,309 copying qsprpred/data/tables/__init__.py -> build/lib/qsprpred/data/tables 2024-03-28T13:34:06,311 copying qsprpred/data/tables/mol.py -> build/lib/qsprpred/data/tables 2024-03-28T13:34:06,314 copying qsprpred/data/tables/searchable.py -> build/lib/qsprpred/data/tables 2024-03-28T13:34:06,316 copying qsprpred/data/tables/qspr.py -> build/lib/qsprpred/data/tables 2024-03-28T13:34:06,319 copying qsprpred/data/tables/base.py -> build/lib/qsprpred/data/tables 2024-03-28T13:34:06,322 copying qsprpred/data/tables/pandas.py -> build/lib/qsprpred/data/tables 2024-03-28T13:34:06,324 copying qsprpred/data/tables/tests.py -> build/lib/qsprpred/data/tables 2024-03-28T13:34:06,328 creating build/lib/qsprpred/data/descriptors 2024-03-28T13:34:06,329 copying qsprpred/data/descriptors/__init__.py -> build/lib/qsprpred/data/descriptors 2024-03-28T13:34:06,331 copying qsprpred/data/descriptors/fingerprints.py -> build/lib/qsprpred/data/descriptors 2024-03-28T13:34:06,334 copying qsprpred/data/descriptors/sets.py -> build/lib/qsprpred/data/descriptors 2024-03-28T13:34:06,337 copying qsprpred/data/descriptors/tests.py -> build/lib/qsprpred/data/descriptors 2024-03-28T13:34:06,340 creating build/lib/qsprpred/data/sampling 2024-03-28T13:34:06,341 copying qsprpred/data/sampling/__init__.py -> build/lib/qsprpred/data/sampling 2024-03-28T13:34:06,343 copying qsprpred/data/sampling/splits.py -> build/lib/qsprpred/data/sampling 2024-03-28T13:34:06,346 copying qsprpred/data/sampling/folds.py -> build/lib/qsprpred/data/sampling 2024-03-28T13:34:06,348 copying qsprpred/data/sampling/tests.py -> build/lib/qsprpred/data/sampling 2024-03-28T13:34:06,351 creating build/lib/qsprpred/data/chem 2024-03-28T13:34:06,352 copying qsprpred/data/chem/standardization.py -> build/lib/qsprpred/data/chem 2024-03-28T13:34:06,355 copying qsprpred/data/chem/__init__.py -> build/lib/qsprpred/data/chem 2024-03-28T13:34:06,356 copying qsprpred/data/chem/matching.py -> build/lib/qsprpred/data/chem 2024-03-28T13:34:06,357 copying qsprpred/data/chem/scaffolds.py -> build/lib/qsprpred/data/chem 2024-03-28T13:34:06,359 copying qsprpred/data/chem/clustering.py -> build/lib/qsprpred/data/chem 2024-03-28T13:34:06,361 copying qsprpred/data/chem/tests.py -> build/lib/qsprpred/data/chem 2024-03-28T13:34:06,363 creating build/lib/qsprpred/data/sources 2024-03-28T13:34:06,364 copying qsprpred/data/sources/__init__.py -> build/lib/qsprpred/data/sources 2024-03-28T13:34:06,366 copying qsprpred/data/sources/data_source.py -> build/lib/qsprpred/data/sources 2024-03-28T13:34:06,368 creating build/lib/qsprpred/data/sources/papyrus 2024-03-28T13:34:06,369 copying qsprpred/data/sources/papyrus/__init__.py -> build/lib/qsprpred/data/sources/papyrus 2024-03-28T13:34:06,371 copying qsprpred/data/sources/papyrus/papyrus_class.py -> build/lib/qsprpred/data/sources/papyrus 2024-03-28T13:34:06,373 copying qsprpred/data/sources/papyrus/papyrus_filter.py -> build/lib/qsprpred/data/sources/papyrus 2024-03-28T13:34:06,375 creating build/lib/qsprpred/models/assessment 2024-03-28T13:34:06,376 copying qsprpred/models/assessment/__init__.py -> build/lib/qsprpred/models/assessment 2024-03-28T13:34:06,378 copying qsprpred/models/assessment/regression.py -> build/lib/qsprpred/models/assessment 2024-03-28T13:34:06,380 copying qsprpred/models/assessment/methods.py -> build/lib/qsprpred/models/assessment 2024-03-28T13:34:06,382 copying qsprpred/models/assessment/classification.py -> build/lib/qsprpred/models/assessment 2024-03-28T13:34:06,384 creating build/lib/qsprpred/utils/interfaces 2024-03-28T13:34:06,385 copying qsprpred/utils/interfaces/__init__.py -> build/lib/qsprpred/utils/interfaces 2024-03-28T13:34:06,387 copying qsprpred/utils/interfaces/randomized.py -> build/lib/qsprpred/utils/interfaces 2024-03-28T13:34:06,389 copying qsprpred/utils/interfaces/summarizable.py -> build/lib/qsprpred/utils/interfaces 2024-03-28T13:34:06,391 creating build/lib/qsprpred/utils/testing 2024-03-28T13:34:06,392 copying qsprpred/utils/testing/__init__.py -> build/lib/qsprpred/utils/testing 2024-03-28T13:34:06,394 copying qsprpred/utils/testing/path_mixins.py -> build/lib/qsprpred/utils/testing 2024-03-28T13:34:06,397 copying qsprpred/utils/testing/base.py -> build/lib/qsprpred/utils/testing 2024-03-28T13:34:06,399 copying qsprpred/utils/testing/check_mixins.py -> build/lib/qsprpred/utils/testing 2024-03-28T13:34:06,404 creating build/lib/qsprpred/extra/data 2024-03-28T13:34:06,405 copying qsprpred/extra/data/__init__.py -> build/lib/qsprpred/extra/data 2024-03-28T13:34:06,407 creating build/lib/qsprpred/extra/models 2024-03-28T13:34:06,408 copying qsprpred/extra/models/__init__.py -> build/lib/qsprpred/extra/models 2024-03-28T13:34:06,410 copying qsprpred/extra/models/pcm.py -> build/lib/qsprpred/extra/models 2024-03-28T13:34:06,412 copying qsprpred/extra/models/random.py -> build/lib/qsprpred/extra/models 2024-03-28T13:34:06,414 copying qsprpred/extra/models/tests.py -> build/lib/qsprpred/extra/models 2024-03-28T13:34:06,417 creating build/lib/qsprpred/extra/gpu 2024-03-28T13:34:06,419 copying qsprpred/extra/gpu/__init__.py -> build/lib/qsprpred/extra/gpu 2024-03-28T13:34:06,422 creating build/lib/qsprpred/extra/data/tables 2024-03-28T13:34:06,423 copying qsprpred/extra/data/tables/__init__.py -> build/lib/qsprpred/extra/data/tables 2024-03-28T13:34:06,426 copying qsprpred/extra/data/tables/pcm.py -> build/lib/qsprpred/extra/data/tables 2024-03-28T13:34:06,428 copying qsprpred/extra/data/tables/tests.py -> build/lib/qsprpred/extra/data/tables 2024-03-28T13:34:06,431 creating build/lib/qsprpred/extra/data/descriptors 2024-03-28T13:34:06,432 copying qsprpred/extra/data/descriptors/__init__.py -> build/lib/qsprpred/extra/data/descriptors 2024-03-28T13:34:06,434 copying qsprpred/extra/data/descriptors/fingerprints.py -> build/lib/qsprpred/extra/data/descriptors 2024-03-28T13:34:06,436 copying qsprpred/extra/data/descriptors/sets.py -> build/lib/qsprpred/extra/data/descriptors 2024-03-28T13:34:06,438 copying qsprpred/extra/data/descriptors/tests.py -> build/lib/qsprpred/extra/data/descriptors 2024-03-28T13:34:06,441 creating build/lib/qsprpred/extra/data/sampling 2024-03-28T13:34:06,442 copying qsprpred/extra/data/sampling/__init__.py -> build/lib/qsprpred/extra/data/sampling 2024-03-28T13:34:06,444 copying qsprpred/extra/data/sampling/splits.py -> build/lib/qsprpred/extra/data/sampling 2024-03-28T13:34:06,446 copying qsprpred/extra/data/sampling/tests.py -> build/lib/qsprpred/extra/data/sampling 2024-03-28T13:34:06,448 creating build/lib/qsprpred/extra/data/utils 2024-03-28T13:34:06,449 copying qsprpred/extra/data/utils/__init__.py -> build/lib/qsprpred/extra/data/utils 2024-03-28T13:34:06,451 copying qsprpred/extra/data/utils/msa_calculator.py -> build/lib/qsprpred/extra/data/utils 2024-03-28T13:34:06,454 creating build/lib/qsprpred/extra/data/utils/testing 2024-03-28T13:34:06,455 copying qsprpred/extra/data/utils/testing/__init__.py -> build/lib/qsprpred/extra/data/utils/testing 2024-03-28T13:34:06,456 copying qsprpred/extra/data/utils/testing/path_mixins.py -> build/lib/qsprpred/extra/data/utils/testing 2024-03-28T13:34:06,460 creating build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:06,461 copying qsprpred/extra/gpu/models/pyboost.py -> build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:06,463 copying qsprpred/extra/gpu/models/__init__.py -> build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:06,464 copying qsprpred/extra/gpu/models/dnn.py -> build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:06,467 copying qsprpred/extra/gpu/models/neural_network.py -> build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:06,469 copying qsprpred/extra/gpu/models/chemprop.py -> build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:06,472 copying qsprpred/extra/gpu/models/tests.py -> build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:06,475 creating build/lib/qsprpred/benchmarks/settings 2024-03-28T13:34:06,476 copying qsprpred/benchmarks/settings/benchmark.py -> build/lib/qsprpred/benchmarks/settings 2024-03-28T13:34:06,478 copying qsprpred/benchmarks/settings/__init__.py -> build/lib/qsprpred/benchmarks/settings 2024-03-28T13:34:06,479 copying qsprpred/benchmarks/settings/data_prep.py -> build/lib/qsprpred/benchmarks/settings 2024-03-28T13:34:06,482 creating build/lib/testing 2024-03-28T13:34:06,483 creating build/lib/testing/test_consistency 2024-03-28T13:34:06,484 copying testing/test_consistency/check_results.py -> build/lib/testing/test_consistency 2024-03-28T13:34:06,486 copying testing/test_consistency/run_benchmarks.py -> build/lib/testing/test_consistency 2024-03-28T13:34:06,493 creating build/lib/tutorials 2024-03-28T13:34:06,493 creating build/lib/tutorials/tutorial_data 2024-03-28T13:34:06,494 copying tutorials/tutorial_data/create_tutorial_data.py -> build/lib/tutorials/tutorial_data 2024-03-28T13:34:06,499 running egg_info 2024-03-28T13:34:06,504 writing qsprpred.egg-info/PKG-INFO 2024-03-28T13:34:06,515 writing dependency_links to qsprpred.egg-info/dependency_links.txt 2024-03-28T13:34:06,520 writing requirements to qsprpred.egg-info/requires.txt 2024-03-28T13:34:06,521 writing top-level names to qsprpred.egg-info/top_level.txt 2024-03-28T13:34:06,813 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2024-03-28T13:34:06,816 reading manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-03-28T13:34:06,835 reading manifest template 'MANIFEST.in' 2024-03-28T13:34:06,895 warning: no files found matching 'test_data/*.*' under directory 'qsprpred' 2024-03-28T13:34:07,052 warning: no files found matching '*.txt' under directory 'qsprpred' 2024-03-28T13:34:07,107 warning: no files found matching '*.md' under directory 'qsprpred' 2024-03-28T13:34:07,108 adding license file 'LICENSE' 2024-03-28T13:34:07,118 writing manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-03-28T13:34:07,151 creating build/lib/scripts 2024-03-28T13:34:07,152 copying scripts/qsprpred -> build/lib/scripts 2024-03-28T13:34:07,155 creating build/lib/figures 2024-03-28T13:34:07,155 copying figures/QSPRpred_logo.jpg -> build/lib/figures 2024-03-28T13:34:07,158 copying figures/QSPRpred_workflow.png -> build/lib/figures 2024-03-28T13:34:07,167 copying testing/README.md -> build/lib/testing 2024-03-28T13:34:07,170 copying testing/run.sh -> build/lib/testing 2024-03-28T13:34:07,172 copying docs/.gitignore -> build/lib/docs 2024-03-28T13:34:07,175 copying docs/Makefile -> build/lib/docs 2024-03-28T13:34:07,177 copying docs/cli_usage.rst -> build/lib/docs 2024-03-28T13:34:07,182 copying docs/features.rst -> build/lib/docs 2024-03-28T13:34:07,186 copying docs/index.rst -> build/lib/docs 2024-03-28T13:34:07,188 copying docs/install.rst -> build/lib/docs 2024-03-28T13:34:07,191 copying docs/make.sh -> build/lib/docs 2024-03-28T13:34:07,193 copying docs/requirements.txt -> build/lib/docs 2024-03-28T13:34:07,196 copying docs/upload.sh -> build/lib/docs 2024-03-28T13:34:07,199 copying tutorials/README.md -> build/lib/tutorials 2024-03-28T13:34:07,202 copying tutorials/quick_start.ipynb -> build/lib/tutorials 2024-03-28T13:34:07,208 creating build/lib/qsprpred/utils/testing/test_files 2024-03-28T13:34:07,209 copying qsprpred/utils/testing/test_files/earlystopping.json -> build/lib/qsprpred/utils/testing/test_files 2024-03-28T13:34:07,212 copying qsprpred/utils/testing/test_files/parameters.json -> build/lib/qsprpred/utils/testing/test_files 2024-03-28T13:34:07,214 copying qsprpred/utils/testing/test_files/search_space_test.json -> build/lib/qsprpred/utils/testing/test_files 2024-03-28T13:34:07,217 creating build/lib/qsprpred/utils/testing/test_files/data 2024-03-28T13:34:07,218 copying qsprpred/utils/testing/test_files/data/test_data.tsv -> build/lib/qsprpred/utils/testing/test_files/data 2024-03-28T13:34:07,221 copying qsprpred/utils/testing/test_files/data/test_data_large.tsv -> build/lib/qsprpred/utils/testing/test_files/data 2024-03-28T13:34:07,263 creating build/lib/qsprpred/utils/testing/test_files/test_predictor 2024-03-28T13:34:07,264 creating build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:07,265 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:07,269 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:07,272 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:07,326 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:07,335 creating build/lib/qsprpred/extra/data/utils/testing/test_files 2024-03-28T13:34:07,336 creating build/lib/qsprpred/extra/data/utils/testing/test_files/data 2024-03-28T13:34:07,338 copying qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv -> build/lib/qsprpred/extra/data/utils/testing/test_files/data 2024-03-28T13:34:07,342 copying qsprpred/extra/data/utils/testing/test_files/data/pcm_sample_targets.csv -> build/lib/qsprpred/extra/data/utils/testing/test_files/data 2024-03-28T13:34:07,345 copying qsprpred/extra/gpu/models/search_space.json -> build/lib/qsprpred/extra/gpu/models 2024-03-28T13:34:07,349 creating build/lib/qsprpred/extra/gpu/models/test_files 2024-03-28T13:34:07,350 copying qsprpred/extra/gpu/models/test_files/search_space_test.json -> build/lib/qsprpred/extra/gpu/models/test_files 2024-03-28T13:34:07,354 creating build/lib/testing/test_cli 2024-03-28T13:34:07,355 copying testing/test_cli/run.sh -> build/lib/testing/test_cli 2024-03-28T13:34:07,359 creating build/lib/testing/runner 2024-03-28T13:34:07,360 copying testing/runner/.gitignore -> build/lib/testing/runner 2024-03-28T13:34:07,363 copying testing/runner/Dockerfile -> build/lib/testing/runner 2024-03-28T13:34:07,366 copying testing/runner/README.md -> build/lib/testing/runner 2024-03-28T13:34:07,368 copying testing/runner/docker-compose.yml -> build/lib/testing/runner 2024-03-28T13:34:07,371 copying testing/runner/entrypoint.sh -> build/lib/testing/runner 2024-03-28T13:34:07,374 copying testing/runner/runner.sh -> build/lib/testing/runner 2024-03-28T13:34:07,376 copying testing/runner/tests.sh -> build/lib/testing/runner 2024-03-28T13:34:07,378 copying testing/test_consistency/.gitignore -> build/lib/testing/test_consistency 2024-03-28T13:34:07,381 copying testing/test_consistency/run.sh -> build/lib/testing/test_consistency 2024-03-28T13:34:07,383 creating build/lib/testing/test_pytest 2024-03-28T13:34:07,384 copying testing/test_pytest/.gitignore -> build/lib/testing/test_pytest 2024-03-28T13:34:07,387 copying testing/test_pytest/run.sh -> build/lib/testing/test_pytest 2024-03-28T13:34:07,389 copying testing/test_pytest/run_all.sh -> build/lib/testing/test_pytest 2024-03-28T13:34:07,392 copying testing/test_pytest/run_split.sh -> build/lib/testing/test_pytest 2024-03-28T13:34:07,394 creating build/lib/testing/test_tutorial 2024-03-28T13:34:07,395 copying testing/test_tutorial/prepare.sh -> build/lib/testing/test_tutorial 2024-03-28T13:34:07,398 copying testing/test_tutorial/run.sh -> build/lib/testing/test_tutorial 2024-03-28T13:34:07,401 creating build/lib/testing/test_cli/data 2024-03-28T13:34:07,402 copying testing/test_cli/data/test_data_large.tsv -> build/lib/testing/test_cli/data 2024-03-28T13:34:07,407 creating build/lib/testing/test_cli/data/search_space 2024-03-28T13:34:07,408 copying testing/test_cli/data/search_space/search_space_test.json -> build/lib/testing/test_cli/data/search_space 2024-03-28T13:34:07,413 creating build/lib/testing/test_consistency/expected 2024-03-28T13:34:07,413 creating build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:07,415 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:07,418 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:07,421 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:07,423 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:07,431 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:07,436 creating build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:07,437 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:07,440 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:07,442 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:07,445 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:07,448 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:07,452 creating build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:07,453 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:07,455 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:07,457 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:07,459 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:07,463 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:07,466 creating build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:07,467 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:07,470 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:07,472 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:07,474 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:07,479 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:07,482 creating build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:07,483 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:07,486 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:07,488 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:07,491 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:07,497 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:07,501 creating build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:07,502 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:07,505 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:07,507 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:07,509 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:07,514 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:07,517 creating build/lib/docs/api 2024-03-28T13:34:07,518 copying docs/api/modules.rst -> build/lib/docs/api 2024-03-28T13:34:07,520 creating build/lib/docs/_templates 2024-03-28T13:34:07,521 copying docs/_templates/layout.html -> build/lib/docs/_templates 2024-03-28T13:34:07,523 creating build/lib/tutorials/figures 2024-03-28T13:34:07,524 copying tutorials/figures/EarlyStopping.png -> build/lib/tutorials/figures 2024-03-28T13:34:07,565 creating build/lib/tutorials/advanced 2024-03-28T13:34:07,566 creating build/lib/tutorials/advanced/data 2024-03-28T13:34:07,568 copying tutorials/advanced/data/custom_descriptors.ipynb -> build/lib/tutorials/advanced/data 2024-03-28T13:34:07,572 copying tutorials/advanced/data/custom_splitting.ipynb -> build/lib/tutorials/advanced/data 2024-03-28T13:34:07,582 copying tutorials/advanced/data/parallelization.ipynb -> build/lib/tutorials/advanced/data 2024-03-28T13:34:07,585 creating build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,586 copying tutorials/advanced/modelling/PCM_modelling.ipynb -> build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,593 copying tutorials/advanced/modelling/chemprop_models.ipynb -> build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,599 copying tutorials/advanced/modelling/custom_models.ipynb -> build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,624 copying tutorials/advanced/modelling/deep_learning_models.ipynb -> build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,627 copying tutorials/advanced/modelling/hyperparameter_optimization.ipynb -> build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,633 copying tutorials/advanced/modelling/monitoring.ipynb -> build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,642 copying tutorials/advanced/modelling/multi_task_modelling.ipynb -> build/lib/tutorials/advanced/modelling 2024-03-28T13:34:07,669 creating build/lib/tutorials/basics 2024-03-28T13:34:07,670 creating build/lib/tutorials/basics/data 2024-03-28T13:34:07,671 copying tutorials/basics/data/applicability_domain.ipynb -> build/lib/tutorials/basics/data 2024-03-28T13:34:07,677 copying tutorials/basics/data/data_collection_with_papyrus.ipynb -> build/lib/tutorials/basics/data 2024-03-28T13:34:07,680 copying tutorials/basics/data/data_preparation.ipynb -> build/lib/tutorials/basics/data 2024-03-28T13:34:07,684 copying tutorials/basics/data/data_representation.ipynb -> build/lib/tutorials/basics/data 2024-03-28T13:34:07,701 copying tutorials/basics/data/data_splitting.ipynb -> build/lib/tutorials/basics/data 2024-03-28T13:34:07,753 copying tutorials/basics/data/descriptors.ipynb -> build/lib/tutorials/basics/data 2024-03-28T13:34:07,758 copying tutorials/basics/data/searching_filtering_plotting.ipynb -> build/lib/tutorials/basics/data 2024-03-28T13:34:07,834 creating build/lib/tutorials/basics/benchmarking 2024-03-28T13:34:07,835 copying tutorials/basics/benchmarking/benchmarking.ipynb -> build/lib/tutorials/basics/benchmarking 2024-03-28T13:34:07,840 creating build/lib/tutorials/basics/modelling 2024-03-28T13:34:07,841 copying tutorials/basics/modelling/classification.ipynb -> build/lib/tutorials/basics/modelling 2024-03-28T13:34:07,915 copying tutorials/basics/modelling/logging.ipynb -> build/lib/tutorials/basics/modelling 2024-03-28T13:34:07,918 copying tutorials/basics/modelling/model_assessment.ipynb -> build/lib/tutorials/basics/modelling 2024-03-28T13:34:07,956 installing to build/bdist.linux-armv7l/wheel 2024-03-28T13:34:07,957 running install 2024-03-28T13:34:07,981 running install_lib 2024-03-28T13:34:07,987 creating build/bdist.linux-armv7l 2024-03-28T13:34:07,988 creating build/bdist.linux-armv7l/wheel 2024-03-28T13:34:07,989 creating build/bdist.linux-armv7l/wheel/scripts 2024-03-28T13:34:07,991 copying build/lib/scripts/qsprpred -> build/bdist.linux-armv7l/wheel/scripts 2024-03-28T13:34:07,993 creating build/bdist.linux-armv7l/wheel/qsprpred 2024-03-28T13:34:07,994 copying build/lib/qsprpred/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-03-28T13:34:07,996 copying build/lib/qsprpred/predict_CLI.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-03-28T13:34:07,999 copying build/lib/qsprpred/model_CLI.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-03-28T13:34:08,002 creating build/bdist.linux-armv7l/wheel/qsprpred/data 2024-03-28T13:34:08,003 copying build/lib/qsprpred/data/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data 2024-03-28T13:34:08,006 creating build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,006 copying build/lib/qsprpred/data/processing/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,008 copying build/lib/qsprpred/data/processing/data_filters.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,011 copying build/lib/qsprpred/data/processing/applicability_domain.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,014 copying build/lib/qsprpred/data/processing/feature_standardizers.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,016 copying build/lib/qsprpred/data/processing/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,019 copying build/lib/qsprpred/data/processing/feature_filters.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,022 copying build/lib/qsprpred/data/processing/mol_processor.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-03-28T13:34:08,025 creating build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,026 copying build/lib/qsprpred/data/tables/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,028 copying build/lib/qsprpred/data/tables/mol.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,033 copying build/lib/qsprpred/data/tables/searchable.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,036 copying build/lib/qsprpred/data/tables/qspr.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,040 copying build/lib/qsprpred/data/tables/base.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,043 copying build/lib/qsprpred/data/tables/pandas.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,045 copying build/lib/qsprpred/data/tables/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-03-28T13:34:08,050 creating build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-03-28T13:34:08,051 copying build/lib/qsprpred/data/descriptors/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-03-28T13:34:08,054 copying build/lib/qsprpred/data/descriptors/fingerprints.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-03-28T13:34:08,057 copying build/lib/qsprpred/data/descriptors/sets.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-03-28T13:34:08,060 copying build/lib/qsprpred/data/descriptors/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-03-28T13:34:08,063 creating build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-03-28T13:34:08,064 copying build/lib/qsprpred/data/sampling/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-03-28T13:34:08,066 copying build/lib/qsprpred/data/sampling/splits.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-03-28T13:34:08,069 copying build/lib/qsprpred/data/sampling/folds.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-03-28T13:34:08,072 copying build/lib/qsprpred/data/sampling/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-03-28T13:34:08,076 creating build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-03-28T13:34:08,077 copying build/lib/qsprpred/data/chem/standardization.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-03-28T13:34:08,080 copying build/lib/qsprpred/data/chem/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-03-28T13:34:08,083 copying build/lib/qsprpred/data/chem/matching.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-03-28T13:34:08,085 copying build/lib/qsprpred/data/chem/scaffolds.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-03-28T13:34:08,088 copying build/lib/qsprpred/data/chem/clustering.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-03-28T13:34:08,092 copying build/lib/qsprpred/data/chem/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-03-28T13:34:08,095 creating build/bdist.linux-armv7l/wheel/qsprpred/data/sources 2024-03-28T13:34:08,096 copying build/lib/qsprpred/data/sources/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources 2024-03-28T13:34:08,099 copying build/lib/qsprpred/data/sources/data_source.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources 2024-03-28T13:34:08,101 creating build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-03-28T13:34:08,103 copying build/lib/qsprpred/data/sources/papyrus/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-03-28T13:34:08,105 copying build/lib/qsprpred/data/sources/papyrus/papyrus_class.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-03-28T13:34:08,109 copying build/lib/qsprpred/data/sources/papyrus/papyrus_filter.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-03-28T13:34:08,112 copying build/lib/qsprpred/_version.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-03-28T13:34:08,115 copying build/lib/qsprpred/data_CLI.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-03-28T13:34:08,120 creating build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,121 copying build/lib/qsprpred/models/monitors.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,127 copying build/lib/qsprpred/models/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,131 copying build/lib/qsprpred/models/model.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,134 copying build/lib/qsprpred/models/metrics.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,137 copying build/lib/qsprpred/models/scikit_learn.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,141 copying build/lib/qsprpred/models/hyperparam_optimization.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,144 creating build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-03-28T13:34:08,146 copying build/lib/qsprpred/models/assessment/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-03-28T13:34:08,148 copying build/lib/qsprpred/models/assessment/regression.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-03-28T13:34:08,151 copying build/lib/qsprpred/models/assessment/methods.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-03-28T13:34:08,155 copying build/lib/qsprpred/models/assessment/classification.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-03-28T13:34:08,157 copying build/lib/qsprpred/models/early_stopping.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,161 copying build/lib/qsprpred/models/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-03-28T13:34:08,165 creating build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,166 copying build/lib/qsprpred/utils/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,168 copying build/lib/qsprpred/utils/serialization.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,171 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-03-28T13:34:08,171 copying build/lib/qsprpred/utils/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-03-28T13:34:08,173 copying build/lib/qsprpred/utils/interfaces/randomized.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-03-28T13:34:08,175 copying build/lib/qsprpred/utils/interfaces/summarizable.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-03-28T13:34:08,177 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-03-28T13:34:08,178 copying build/lib/qsprpred/utils/testing/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-03-28T13:34:08,180 copying build/lib/qsprpred/utils/testing/path_mixins.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-03-28T13:34:08,184 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-03-28T13:34:08,185 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/data 2024-03-28T13:34:08,186 copying build/lib/qsprpred/utils/testing/test_files/data/test_data.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/data 2024-03-28T13:34:08,188 copying build/lib/qsprpred/utils/testing/test_files/data/test_data_large.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/data 2024-03-28T13:34:08,194 copying build/lib/qsprpred/utils/testing/test_files/earlystopping.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-03-28T13:34:08,196 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor 2024-03-28T13:34:08,198 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:08,199 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:08,204 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:08,206 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:08,249 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-03-28T13:34:08,253 copying build/lib/qsprpred/utils/testing/test_files/search_space_test.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-03-28T13:34:08,256 copying build/lib/qsprpred/utils/testing/test_files/parameters.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-03-28T13:34:08,258 copying build/lib/qsprpred/utils/testing/base.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-03-28T13:34:08,260 copying build/lib/qsprpred/utils/testing/check_mixins.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-03-28T13:34:08,263 copying build/lib/qsprpred/utils/parallel.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,266 copying build/lib/qsprpred/utils/stringops.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,267 copying build/lib/qsprpred/utils/stopwatch.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,269 copying build/lib/qsprpred/utils/inspect.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,271 copying build/lib/qsprpred/utils/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-03-28T13:34:08,274 creating build/bdist.linux-armv7l/wheel/qsprpred/extra 2024-03-28T13:34:08,275 copying build/lib/qsprpred/extra/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra 2024-03-28T13:34:08,277 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data 2024-03-28T13:34:08,278 copying build/lib/qsprpred/extra/data/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data 2024-03-28T13:34:08,280 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-03-28T13:34:08,281 copying build/lib/qsprpred/extra/data/tables/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-03-28T13:34:08,283 copying build/lib/qsprpred/extra/data/tables/pcm.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-03-28T13:34:08,286 copying build/lib/qsprpred/extra/data/tables/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-03-28T13:34:08,289 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-03-28T13:34:08,290 copying build/lib/qsprpred/extra/data/descriptors/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-03-28T13:34:08,292 copying build/lib/qsprpred/extra/data/descriptors/fingerprints.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-03-28T13:34:08,295 copying build/lib/qsprpred/extra/data/descriptors/sets.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-03-28T13:34:08,298 copying build/lib/qsprpred/extra/data/descriptors/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-03-28T13:34:08,301 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-03-28T13:34:08,302 copying build/lib/qsprpred/extra/data/sampling/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-03-28T13:34:08,304 copying build/lib/qsprpred/extra/data/sampling/splits.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-03-28T13:34:08,306 copying build/lib/qsprpred/extra/data/sampling/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-03-28T13:34:08,309 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils 2024-03-28T13:34:08,310 copying build/lib/qsprpred/extra/data/utils/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils 2024-03-28T13:34:08,313 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing 2024-03-28T13:34:08,314 copying build/lib/qsprpred/extra/data/utils/testing/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing 2024-03-28T13:34:08,315 copying build/lib/qsprpred/extra/data/utils/testing/path_mixins.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing 2024-03-28T13:34:08,318 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files 2024-03-28T13:34:08,320 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files/data 2024-03-28T13:34:08,321 copying build/lib/qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files/data 2024-03-28T13:34:08,323 copying build/lib/qsprpred/extra/data/utils/testing/test_files/data/pcm_sample_targets.csv -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files/data 2024-03-28T13:34:08,325 copying build/lib/qsprpred/extra/data/utils/msa_calculator.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils 2024-03-28T13:34:08,328 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-03-28T13:34:08,329 copying build/lib/qsprpred/extra/models/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-03-28T13:34:08,331 copying build/lib/qsprpred/extra/models/pcm.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-03-28T13:34:08,333 copying build/lib/qsprpred/extra/models/random.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-03-28T13:34:08,336 copying build/lib/qsprpred/extra/models/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-03-28T13:34:08,339 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu 2024-03-28T13:34:08,340 copying build/lib/qsprpred/extra/gpu/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu 2024-03-28T13:34:08,342 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,343 copying build/lib/qsprpred/extra/gpu/models/pyboost.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,346 copying build/lib/qsprpred/extra/gpu/models/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,347 copying build/lib/qsprpred/extra/gpu/models/dnn.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,350 copying build/lib/qsprpred/extra/gpu/models/neural_network.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,353 copying build/lib/qsprpred/extra/gpu/models/chemprop.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,356 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models/test_files 2024-03-28T13:34:08,357 copying build/lib/qsprpred/extra/gpu/models/test_files/search_space_test.json -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models/test_files 2024-03-28T13:34:08,359 copying build/lib/qsprpred/extra/gpu/models/search_space.json -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,361 copying build/lib/qsprpred/extra/gpu/models/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-03-28T13:34:08,365 creating build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-03-28T13:34:08,366 copying build/lib/qsprpred/logs/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-03-28T13:34:08,368 copying build/lib/qsprpred/logs/config.py -> build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-03-28T13:34:08,371 copying build/lib/qsprpred/logs/utils.py -> build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-03-28T13:34:08,374 copying build/lib/qsprpred/tasks.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-03-28T13:34:08,378 creating build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-03-28T13:34:08,379 copying build/lib/qsprpred/benchmarks/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-03-28T13:34:08,381 copying build/lib/qsprpred/benchmarks/replica.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-03-28T13:34:08,383 copying build/lib/qsprpred/benchmarks/runner.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-03-28T13:34:08,386 creating build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-03-28T13:34:08,387 copying build/lib/qsprpred/benchmarks/settings/benchmark.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-03-28T13:34:08,389 copying build/lib/qsprpred/benchmarks/settings/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-03-28T13:34:08,391 copying build/lib/qsprpred/benchmarks/settings/data_prep.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-03-28T13:34:08,393 copying build/lib/qsprpred/benchmarks/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-03-28T13:34:08,396 creating build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-03-28T13:34:08,397 copying build/lib/qsprpred/plotting/grid_visualizers.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-03-28T13:34:08,399 copying build/lib/qsprpred/plotting/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-03-28T13:34:08,401 copying build/lib/qsprpred/plotting/regression.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-03-28T13:34:08,404 copying build/lib/qsprpred/plotting/base_plot.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-03-28T13:34:08,406 copying build/lib/qsprpred/plotting/classification.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-03-28T13:34:08,409 copying build/lib/qsprpred/plotting/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-03-28T13:34:08,412 creating build/bdist.linux-armv7l/wheel/figures 2024-03-28T13:34:08,413 copying build/lib/figures/QSPRpred_logo.jpg -> build/bdist.linux-armv7l/wheel/figures 2024-03-28T13:34:08,415 copying build/lib/figures/QSPRpred_workflow.png -> build/bdist.linux-armv7l/wheel/figures 2024-03-28T13:34:08,422 creating build/bdist.linux-armv7l/wheel/testing 2024-03-28T13:34:08,423 creating build/bdist.linux-armv7l/wheel/testing/test_cli 2024-03-28T13:34:08,425 creating build/bdist.linux-armv7l/wheel/testing/test_cli/data 2024-03-28T13:34:08,426 creating build/bdist.linux-armv7l/wheel/testing/test_cli/data/search_space 2024-03-28T13:34:08,427 copying build/lib/testing/test_cli/data/search_space/search_space_test.json -> build/bdist.linux-armv7l/wheel/testing/test_cli/data/search_space 2024-03-28T13:34:08,429 copying build/lib/testing/test_cli/data/test_data_large.tsv -> build/bdist.linux-armv7l/wheel/testing/test_cli/data 2024-03-28T13:34:08,436 copying build/lib/testing/test_cli/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_cli 2024-03-28T13:34:08,438 copying build/lib/testing/run.sh -> build/bdist.linux-armv7l/wheel/testing 2024-03-28T13:34:08,440 creating build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,441 copying build/lib/testing/runner/tests.sh -> build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,443 copying build/lib/testing/runner/entrypoint.sh -> build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,445 copying build/lib/testing/runner/Dockerfile -> build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,446 copying build/lib/testing/runner/runner.sh -> build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,449 copying build/lib/testing/runner/docker-compose.yml -> build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,451 copying build/lib/testing/runner/.gitignore -> build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,453 copying build/lib/testing/runner/README.md -> build/bdist.linux-armv7l/wheel/testing/runner 2024-03-28T13:34:08,456 creating build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-03-28T13:34:08,457 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected 2024-03-28T13:34:08,459 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:08,460 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:08,464 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:08,466 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:08,468 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:08,472 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369 2024-03-28T13:34:08,475 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:08,476 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:08,479 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:08,481 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:08,484 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:08,487 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327 2024-03-28T13:34:08,489 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:08,490 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:08,492 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:08,494 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:08,496 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:08,500 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369 2024-03-28T13:34:08,505 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:08,506 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:08,509 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:08,512 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:08,514 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:08,516 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943 2024-03-28T13:34:08,521 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:08,521 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:08,525 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:08,527 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:08,530 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:08,533 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327 2024-03-28T13:34:08,536 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:08,537 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:08,539 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:08,544 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:08,547 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:08,548 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943/ConsistencyChecksREG_1181241943_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943 2024-03-28T13:34:08,551 copying build/lib/testing/test_consistency/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-03-28T13:34:08,553 copying build/lib/testing/test_consistency/check_results.py -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-03-28T13:34:08,555 copying build/lib/testing/test_consistency/run_benchmarks.py -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-03-28T13:34:08,557 copying build/lib/testing/test_consistency/.gitignore -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-03-28T13:34:08,559 creating build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-03-28T13:34:08,560 copying build/lib/testing/test_pytest/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-03-28T13:34:08,562 copying build/lib/testing/test_pytest/run_split.sh -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-03-28T13:34:08,564 copying build/lib/testing/test_pytest/.gitignore -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-03-28T13:34:08,566 copying build/lib/testing/test_pytest/run_all.sh -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-03-28T13:34:08,568 creating build/bdist.linux-armv7l/wheel/testing/test_tutorial 2024-03-28T13:34:08,569 copying build/lib/testing/test_tutorial/prepare.sh -> build/bdist.linux-armv7l/wheel/testing/test_tutorial 2024-03-28T13:34:08,570 copying build/lib/testing/test_tutorial/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_tutorial 2024-03-28T13:34:08,572 copying build/lib/testing/README.md -> build/bdist.linux-armv7l/wheel/testing 2024-03-28T13:34:08,574 creating build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,575 copying build/lib/docs/make.sh -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,577 copying build/lib/docs/upload.sh -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,580 creating build/bdist.linux-armv7l/wheel/docs/api 2024-03-28T13:34:08,581 copying build/lib/docs/api/modules.rst -> build/bdist.linux-armv7l/wheel/docs/api 2024-03-28T13:34:08,583 copying build/lib/docs/requirements.txt -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,585 copying build/lib/docs/style_guide.py -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,587 copying build/lib/docs/Makefile -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,588 copying build/lib/docs/conf.py -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,591 creating build/bdist.linux-armv7l/wheel/docs/_templates 2024-03-28T13:34:08,592 copying build/lib/docs/_templates/layout.html -> build/bdist.linux-armv7l/wheel/docs/_templates 2024-03-28T13:34:08,594 copying build/lib/docs/.gitignore -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,596 copying build/lib/docs/index.rst -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,598 copying build/lib/docs/cli_usage.rst -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,601 copying build/lib/docs/features.rst -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,603 copying build/lib/docs/install.rst -> build/bdist.linux-armv7l/wheel/docs 2024-03-28T13:34:08,605 creating build/bdist.linux-armv7l/wheel/tutorials 2024-03-28T13:34:08,607 creating build/bdist.linux-armv7l/wheel/tutorials/advanced 2024-03-28T13:34:08,609 creating build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-03-28T13:34:08,610 copying build/lib/tutorials/advanced/data/custom_descriptors.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-03-28T13:34:08,613 copying build/lib/tutorials/advanced/data/parallelization.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-03-28T13:34:08,615 copying build/lib/tutorials/advanced/data/custom_splitting.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-03-28T13:34:08,631 creating build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,632 copying build/lib/tutorials/advanced/modelling/multi_task_modelling.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,684 copying build/lib/tutorials/advanced/modelling/PCM_modelling.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,692 copying build/lib/tutorials/advanced/modelling/chemprop_models.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,697 copying build/lib/tutorials/advanced/modelling/custom_models.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,709 copying build/lib/tutorials/advanced/modelling/monitoring.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,714 copying build/lib/tutorials/advanced/modelling/hyperparameter_optimization.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,718 copying build/lib/tutorials/advanced/modelling/deep_learning_models.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-03-28T13:34:08,721 copying build/lib/tutorials/quick_start.ipynb -> build/bdist.linux-armv7l/wheel/tutorials 2024-03-28T13:34:08,727 creating build/bdist.linux-armv7l/wheel/tutorials/tutorial_data 2024-03-28T13:34:08,728 copying build/lib/tutorials/tutorial_data/create_tutorial_data.py -> build/bdist.linux-armv7l/wheel/tutorials/tutorial_data 2024-03-28T13:34:08,730 creating build/bdist.linux-armv7l/wheel/tutorials/figures 2024-03-28T13:34:08,731 copying build/lib/tutorials/figures/EarlyStopping.png -> build/bdist.linux-armv7l/wheel/tutorials/figures 2024-03-28T13:34:08,737 creating build/bdist.linux-armv7l/wheel/tutorials/basics 2024-03-28T13:34:08,738 creating build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,739 copying build/lib/tutorials/basics/data/descriptors.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,745 copying build/lib/tutorials/basics/data/data_splitting.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,760 copying build/lib/tutorials/basics/data/data_preparation.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,764 copying build/lib/tutorials/basics/data/searching_filtering_plotting.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,874 copying build/lib/tutorials/basics/data/data_collection_with_papyrus.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,878 copying build/lib/tutorials/basics/data/applicability_domain.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,933 copying build/lib/tutorials/basics/data/data_representation.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-03-28T13:34:08,951 creating build/bdist.linux-armv7l/wheel/tutorials/basics/benchmarking 2024-03-28T13:34:08,952 copying build/lib/tutorials/basics/benchmarking/benchmarking.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/benchmarking 2024-03-28T13:34:08,959 creating build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-03-28T13:34:08,960 copying build/lib/tutorials/basics/modelling/classification.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-03-28T13:34:09,005 copying build/lib/tutorials/basics/modelling/model_assessment.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-03-28T13:34:09,009 copying build/lib/tutorials/basics/modelling/logging.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-03-28T13:34:09,012 copying build/lib/tutorials/README.md -> build/bdist.linux-armv7l/wheel/tutorials 2024-03-28T13:34:09,014 running install_egg_info 2024-03-28T13:34:09,022 Copying qsprpred.egg-info to build/bdist.linux-armv7l/wheel/qsprpred-3.0.2-py3.11.egg-info 2024-03-28T13:34:09,036 running install_scripts 2024-03-28T13:34:09,070 creating build/bdist.linux-armv7l/wheel/qsprpred-3.0.2.dist-info/WHEEL 2024-03-28T13:34:09,073 creating '/tmp/pip-wheel-8ndu9vq4/.tmp-9ujb42pw/qsprpred-3.0.2-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-03-28T13:34:09,076 adding 'docs/.gitignore' 2024-03-28T13:34:09,077 adding 'docs/Makefile' 2024-03-28T13:34:09,080 adding 'docs/cli_usage.rst' 2024-03-28T13:34:09,082 adding 'docs/conf.py' 2024-03-28T13:34:09,084 adding 'docs/features.rst' 2024-03-28T13:34:09,085 adding 'docs/index.rst' 2024-03-28T13:34:09,087 adding 'docs/install.rst' 2024-03-28T13:34:09,088 adding 'docs/make.sh' 2024-03-28T13:34:09,090 adding 'docs/requirements.txt' 2024-03-28T13:34:09,092 adding 'docs/style_guide.py' 2024-03-28T13:34:09,093 adding 'docs/upload.sh' 2024-03-28T13:34:09,095 adding 'docs/_templates/layout.html' 2024-03-28T13:34:09,097 adding 'docs/api/modules.rst' 2024-03-28T13:34:09,099 adding 'figures/QSPRpred_logo.jpg' 2024-03-28T13:34:09,119 adding 'figures/QSPRpred_workflow.png' 2024-03-28T13:34:09,122 adding 'qsprpred/__init__.py' 2024-03-28T13:34:09,123 adding 'qsprpred/_version.py' 2024-03-28T13:34:09,126 adding 'qsprpred/data_CLI.py' 2024-03-28T13:34:09,128 adding 'qsprpred/model_CLI.py' 2024-03-28T13:34:09,130 adding 'qsprpred/predict_CLI.py' 2024-03-28T13:34:09,132 adding 'qsprpred/tasks.py' 2024-03-28T13:34:09,134 adding 'qsprpred/benchmarks/__init__.py' 2024-03-28T13:34:09,136 adding 'qsprpred/benchmarks/replica.py' 2024-03-28T13:34:09,138 adding 'qsprpred/benchmarks/runner.py' 2024-03-28T13:34:09,140 adding 'qsprpred/benchmarks/tests.py' 2024-03-28T13:34:09,141 adding 'qsprpred/benchmarks/settings/__init__.py' 2024-03-28T13:34:09,142 adding 'qsprpred/benchmarks/settings/benchmark.py' 2024-03-28T13:34:09,144 adding 'qsprpred/benchmarks/settings/data_prep.py' 2024-03-28T13:34:09,145 adding 'qsprpred/data/__init__.py' 2024-03-28T13:34:09,147 adding 'qsprpred/data/chem/__init__.py' 2024-03-28T13:34:09,149 adding 'qsprpred/data/chem/clustering.py' 2024-03-28T13:34:09,150 adding 'qsprpred/data/chem/matching.py' 2024-03-28T13:34:09,151 adding 'qsprpred/data/chem/scaffolds.py' 2024-03-28T13:34:09,153 adding 'qsprpred/data/chem/standardization.py' 2024-03-28T13:34:09,154 adding 'qsprpred/data/chem/tests.py' 2024-03-28T13:34:09,156 adding 'qsprpred/data/descriptors/__init__.py' 2024-03-28T13:34:09,157 adding 'qsprpred/data/descriptors/fingerprints.py' 2024-03-28T13:34:09,160 adding 'qsprpred/data/descriptors/sets.py' 2024-03-28T13:34:09,162 adding 'qsprpred/data/descriptors/tests.py' 2024-03-28T13:34:09,164 adding 'qsprpred/data/processing/__init__.py' 2024-03-28T13:34:09,165 adding 'qsprpred/data/processing/applicability_domain.py' 2024-03-28T13:34:09,167 adding 'qsprpred/data/processing/data_filters.py' 2024-03-28T13:34:09,168 adding 'qsprpred/data/processing/feature_filters.py' 2024-03-28T13:34:09,170 adding 'qsprpred/data/processing/feature_standardizers.py' 2024-03-28T13:34:09,171 adding 'qsprpred/data/processing/mol_processor.py' 2024-03-28T13:34:09,173 adding 'qsprpred/data/processing/tests.py' 2024-03-28T13:34:09,176 adding 'qsprpred/data/sampling/__init__.py' 2024-03-28T13:34:09,177 adding 'qsprpred/data/sampling/folds.py' 2024-03-28T13:34:09,180 adding 'qsprpred/data/sampling/splits.py' 2024-03-28T13:34:09,182 adding 'qsprpred/data/sampling/tests.py' 2024-03-28T13:34:09,184 adding 'qsprpred/data/sources/__init__.py' 2024-03-28T13:34:09,185 adding 'qsprpred/data/sources/data_source.py' 2024-03-28T13:34:09,186 adding 'qsprpred/data/sources/papyrus/__init__.py' 2024-03-28T13:34:09,188 adding 'qsprpred/data/sources/papyrus/papyrus_class.py' 2024-03-28T13:34:09,190 adding 'qsprpred/data/sources/papyrus/papyrus_filter.py' 2024-03-28T13:34:09,191 adding 'qsprpred/data/tables/__init__.py' 2024-03-28T13:34:09,193 adding 'qsprpred/data/tables/base.py' 2024-03-28T13:34:09,198 adding 'qsprpred/data/tables/mol.py' 2024-03-28T13:34:09,201 adding 'qsprpred/data/tables/pandas.py' 2024-03-28T13:34:09,207 adding 'qsprpred/data/tables/qspr.py' 2024-03-28T13:34:09,209 adding 'qsprpred/data/tables/searchable.py' 2024-03-28T13:34:09,212 adding 'qsprpred/data/tables/tests.py' 2024-03-28T13:34:09,214 adding 'qsprpred/extra/__init__.py' 2024-03-28T13:34:09,215 adding 'qsprpred/extra/data/__init__.py' 2024-03-28T13:34:09,217 adding 'qsprpred/extra/data/descriptors/__init__.py' 2024-03-28T13:34:09,218 adding 'qsprpred/extra/data/descriptors/fingerprints.py' 2024-03-28T13:34:09,221 adding 'qsprpred/extra/data/descriptors/sets.py' 2024-03-28T13:34:09,223 adding 'qsprpred/extra/data/descriptors/tests.py' 2024-03-28T13:34:09,225 adding 'qsprpred/extra/data/sampling/__init__.py' 2024-03-28T13:34:09,227 adding 'qsprpred/extra/data/sampling/splits.py' 2024-03-28T13:34:09,228 adding 'qsprpred/extra/data/sampling/tests.py' 2024-03-28T13:34:09,230 adding 'qsprpred/extra/data/tables/__init__.py' 2024-03-28T13:34:09,232 adding 'qsprpred/extra/data/tables/pcm.py' 2024-03-28T13:34:09,233 adding 'qsprpred/extra/data/tables/tests.py' 2024-03-28T13:34:09,235 adding 'qsprpred/extra/data/utils/__init__.py' 2024-03-28T13:34:09,236 adding 'qsprpred/extra/data/utils/msa_calculator.py' 2024-03-28T13:34:09,238 adding 'qsprpred/extra/data/utils/testing/__init__.py' 2024-03-28T13:34:09,239 adding 'qsprpred/extra/data/utils/testing/path_mixins.py' 2024-03-28T13:34:09,243 adding 'qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv' 2024-03-28T13:34:09,244 adding 'qsprpred/extra/data/utils/testing/test_files/data/pcm_sample_targets.csv' 2024-03-28T13:34:09,246 adding 'qsprpred/extra/gpu/__init__.py' 2024-03-28T13:34:09,247 adding 'qsprpred/extra/gpu/models/__init__.py' 2024-03-28T13:34:09,251 adding 'qsprpred/extra/gpu/models/chemprop.py' 2024-03-28T13:34:09,253 adding 'qsprpred/extra/gpu/models/dnn.py' 2024-03-28T13:34:09,255 adding 'qsprpred/extra/gpu/models/neural_network.py' 2024-03-28T13:34:09,258 adding 'qsprpred/extra/gpu/models/pyboost.py' 2024-03-28T13:34:09,259 adding 'qsprpred/extra/gpu/models/search_space.json' 2024-03-28T13:34:09,261 adding 'qsprpred/extra/gpu/models/tests.py' 2024-03-28T13:34:09,263 adding 'qsprpred/extra/gpu/models/test_files/search_space_test.json' 2024-03-28T13:34:09,265 adding 'qsprpred/extra/models/__init__.py' 2024-03-28T13:34:09,266 adding 'qsprpred/extra/models/pcm.py' 2024-03-28T13:34:09,268 adding 'qsprpred/extra/models/random.py' 2024-03-28T13:34:09,270 adding 'qsprpred/extra/models/tests.py' 2024-03-28T13:34:09,272 adding 'qsprpred/logs/__init__.py' 2024-03-28T13:34:09,273 adding 'qsprpred/logs/config.py' 2024-03-28T13:34:09,275 adding 'qsprpred/logs/utils.py' 2024-03-28T13:34:09,277 adding 'qsprpred/models/__init__.py' 2024-03-28T13:34:09,279 adding 'qsprpred/models/early_stopping.py' 2024-03-28T13:34:09,281 adding 'qsprpred/models/hyperparam_optimization.py' 2024-03-28T13:34:09,282 adding 'qsprpred/models/metrics.py' 2024-03-28T13:34:09,286 adding 'qsprpred/models/model.py' 2024-03-28T13:34:09,290 adding 'qsprpred/models/monitors.py' 2024-03-28T13:34:09,292 adding 'qsprpred/models/scikit_learn.py' 2024-03-28T13:34:09,295 adding 'qsprpred/models/tests.py' 2024-03-28T13:34:09,297 adding 'qsprpred/models/assessment/__init__.py' 2024-03-28T13:34:09,298 adding 'qsprpred/models/assessment/classification.py' 2024-03-28T13:34:09,300 adding 'qsprpred/models/assessment/methods.py' 2024-03-28T13:34:09,301 adding 'qsprpred/models/assessment/regression.py' 2024-03-28T13:34:09,303 adding 'qsprpred/plotting/__init__.py' 2024-03-28T13:34:09,304 adding 'qsprpred/plotting/base_plot.py' 2024-03-28T13:34:09,308 adding 'qsprpred/plotting/classification.py' 2024-03-28T13:34:09,309 adding 'qsprpred/plotting/grid_visualizers.py' 2024-03-28T13:34:09,311 adding 'qsprpred/plotting/regression.py' 2024-03-28T13:34:09,313 adding 'qsprpred/plotting/tests.py' 2024-03-28T13:34:09,315 adding 'qsprpred/utils/__init__.py' 2024-03-28T13:34:09,316 adding 'qsprpred/utils/inspect.py' 2024-03-28T13:34:09,318 adding 'qsprpred/utils/parallel.py' 2024-03-28T13:34:09,320 adding 'qsprpred/utils/serialization.py' 2024-03-28T13:34:09,321 adding 'qsprpred/utils/stopwatch.py' 2024-03-28T13:34:09,322 adding 'qsprpred/utils/stringops.py' 2024-03-28T13:34:09,324 adding 'qsprpred/utils/tests.py' 2024-03-28T13:34:09,326 adding 'qsprpred/utils/interfaces/__init__.py' 2024-03-28T13:34:09,327 adding 'qsprpred/utils/interfaces/randomized.py' 2024-03-28T13:34:09,329 adding 'qsprpred/utils/interfaces/summarizable.py' 2024-03-28T13:34:09,331 adding 'qsprpred/utils/testing/__init__.py' 2024-03-28T13:34:09,332 adding 'qsprpred/utils/testing/base.py' 2024-03-28T13:34:09,335 adding 'qsprpred/utils/testing/check_mixins.py' 2024-03-28T13:34:09,337 adding 'qsprpred/utils/testing/path_mixins.py' 2024-03-28T13:34:09,339 adding 'qsprpred/utils/testing/test_files/earlystopping.json' 2024-03-28T13:34:09,341 adding 'qsprpred/utils/testing/test_files/parameters.json' 2024-03-28T13:34:09,342 adding 'qsprpred/utils/testing/test_files/search_space_test.json' 2024-03-28T13:34:09,344 adding 'qsprpred/utils/testing/test_files/data/test_data.tsv' 2024-03-28T13:34:09,365 adding 'qsprpred/utils/testing/test_files/data/test_data_large.tsv' 2024-03-28T13:34:09,369 adding 'qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv' 2024-03-28T13:34:09,370 adding 'qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv' 2024-03-28T13:34:09,479 adding 'qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json' 2024-03-28T13:34:09,495 adding 'qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json' 2024-03-28T13:34:09,499 adding 'scripts/qsprpred' 2024-03-28T13:34:09,501 adding 'testing/README.md' 2024-03-28T13:34:09,502 adding 'testing/run.sh' 2024-03-28T13:34:09,504 adding 'testing/runner/.gitignore' 2024-03-28T13:34:09,505 adding 'testing/runner/Dockerfile' 2024-03-28T13:34:09,506 adding 'testing/runner/README.md' 2024-03-28T13:34:09,507 adding 'testing/runner/docker-compose.yml' 2024-03-28T13:34:09,509 adding 'testing/runner/entrypoint.sh' 2024-03-28T13:34:09,510 adding 'testing/runner/runner.sh' 2024-03-28T13:34:09,511 adding 'testing/runner/tests.sh' 2024-03-28T13:34:09,513 adding 'testing/test_cli/run.sh' 2024-03-28T13:34:09,534 adding 'testing/test_cli/data/test_data_large.tsv' 2024-03-28T13:34:09,537 adding 'testing/test_cli/data/search_space/search_space_test.json' 2024-03-28T13:34:09,540 adding 'testing/test_consistency/.gitignore' 2024-03-28T13:34:09,541 adding 'testing/test_consistency/check_results.py' 2024-03-28T13:34:09,542 adding 'testing/test_consistency/run.sh' 2024-03-28T13:34:09,544 adding 'testing/test_consistency/run_benchmarks.py' 2024-03-28T13:34:09,547 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.cv.tsv' 2024-03-28T13:34:09,549 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.ind.tsv' 2024-03-28T13:34:09,550 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.json' 2024-03-28T13:34:09,554 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_meta.json' 2024-03-28T13:34:09,557 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_replica.json' 2024-03-28T13:34:09,559 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.cv.tsv' 2024-03-28T13:34:09,561 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.ind.tsv' 2024-03-28T13:34:09,562 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943.json' 2024-03-28T13:34:09,565 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943_meta.json' 2024-03-28T13:34:09,568 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_1181241943/ConsistencyChecksCLS_1181241943_replica.json' 2024-03-28T13:34:09,571 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.cv.tsv' 2024-03-28T13:34:09,572 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.ind.tsv' 2024-03-28T13:34:09,573 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.json' 2024-03-28T13:34:09,577 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_meta.json' 2024-03-28T13:34:09,580 adding 'testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_replica.json' 2024-03-28T13:34:09,582 adding 'testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.cv.tsv' 2024-03-28T13:34:09,584 adding 'testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.ind.tsv' 2024-03-28T13:34:09,586 adding 'testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.json' 2024-03-28T13:34:09,589 adding 'testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_meta.json' 2024-03-28T13:34:09,592 adding 'testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_replica.json' 2024-03-28T13:34:09,595 adding 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