2024-09-27T14:08:56,955 Created temporary directory: /tmp/pip-build-tracker-728jo5yj 2024-09-27T14:08:56,956 Initialized build tracking at /tmp/pip-build-tracker-728jo5yj 2024-09-27T14:08:56,957 Created build tracker: /tmp/pip-build-tracker-728jo5yj 2024-09-27T14:08:56,957 Entered build tracker: /tmp/pip-build-tracker-728jo5yj 2024-09-27T14:08:56,958 Created temporary directory: /tmp/pip-wheel-h641kjmh 2024-09-27T14:08:56,962 Created temporary directory: /tmp/pip-ephem-wheel-cache-_hrc059r 2024-09-27T14:08:57,004 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-09-27T14:08:57,007 2 location(s) to search for versions of reinvent-hitl-scoring: 2024-09-27T14:08:57,007 * https://pypi.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,007 * https://www.piwheels.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,008 Fetching project page and analyzing links: https://pypi.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,009 Getting page https://pypi.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,010 Found index url https://pypi.org/simple/ 2024-09-27T14:08:57,229 Fetched page https://pypi.org/simple/reinvent-hitl-scoring/ as application/vnd.pypi.simple.v1+json 2024-09-27T14:08:57,230 Found link https://files.pythonhosted.org/packages/bf/5e/09cc4a22892e2f643836023cea7eab2ffc2b8ce006b86fa49e7381b76467/reinvent_hitl_scoring-0.0.6.tar.gz (from https://pypi.org/simple/reinvent-hitl-scoring/) (requires-python:>=3.7), version: 0.0.6 2024-09-27T14:08:57,231 Fetching project page and analyzing links: https://www.piwheels.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,232 Getting page https://www.piwheels.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,233 Found index url https://www.piwheels.org/simple/ 2024-09-27T14:08:57,400 Fetched page https://www.piwheels.org/simple/reinvent-hitl-scoring/ as text/html 2024-09-27T14:08:57,401 Skipping link: not a file: https://www.piwheels.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,402 Skipping link: not a file: https://pypi.org/simple/reinvent-hitl-scoring/ 2024-09-27T14:08:57,419 Given no hashes to check 1 links for project 'reinvent-hitl-scoring': discarding no candidates 2024-09-27T14:08:57,421 Collecting reinvent-hitl-scoring==0.0.6 2024-09-27T14:08:57,423 Created temporary directory: /tmp/pip-unpack-dj8jm8py 2024-09-27T14:08:57,728 Downloading reinvent_hitl_scoring-0.0.6.tar.gz (3.9 MB) 2024-09-27T14:08:58,556 Added reinvent-hitl-scoring==0.0.6 from https://files.pythonhosted.org/packages/bf/5e/09cc4a22892e2f643836023cea7eab2ffc2b8ce006b86fa49e7381b76467/reinvent_hitl_scoring-0.0.6.tar.gz to build tracker '/tmp/pip-build-tracker-728jo5yj' 2024-09-27T14:08:58,558 Running setup.py (path:/tmp/pip-wheel-h641kjmh/reinvent-hitl-scoring_8c0f0fb00f5f4b43ac1e0d9dc1bb269a/setup.py) egg_info for package reinvent-hitl-scoring 2024-09-27T14:08:58,559 Created temporary directory: /tmp/pip-pip-egg-info-tu66vbuq 2024-09-27T14:08:58,560 Preparing metadata (setup.py): started 2024-09-27T14:08:58,562 Running command python setup.py egg_info 2024-09-27T14:08:59,666 running egg_info 2024-09-27T14:08:59,668 creating /tmp/pip-pip-egg-info-tu66vbuq/reinvent_hitl_scoring.egg-info 2024-09-27T14:08:59,697 writing /tmp/pip-pip-egg-info-tu66vbuq/reinvent_hitl_scoring.egg-info/PKG-INFO 2024-09-27T14:08:59,699 writing dependency_links to /tmp/pip-pip-egg-info-tu66vbuq/reinvent_hitl_scoring.egg-info/dependency_links.txt 2024-09-27T14:08:59,702 writing top-level names to /tmp/pip-pip-egg-info-tu66vbuq/reinvent_hitl_scoring.egg-info/top_level.txt 2024-09-27T14:08:59,703 writing manifest file '/tmp/pip-pip-egg-info-tu66vbuq/reinvent_hitl_scoring.egg-info/SOURCES.txt' 2024-09-27T14:08:59,812 reading manifest file '/tmp/pip-pip-egg-info-tu66vbuq/reinvent_hitl_scoring.egg-info/SOURCES.txt' 2024-09-27T14:08:59,814 adding license file 'LICENSE' 2024-09-27T14:08:59,821 writing manifest file '/tmp/pip-pip-egg-info-tu66vbuq/reinvent_hitl_scoring.egg-info/SOURCES.txt' 2024-09-27T14:08:59,933 Preparing metadata (setup.py): finished with status 'done' 2024-09-27T14:08:59,936 Source in /tmp/pip-wheel-h641kjmh/reinvent-hitl-scoring_8c0f0fb00f5f4b43ac1e0d9dc1bb269a has version 0.0.6, which satisfies requirement reinvent-hitl-scoring==0.0.6 from https://files.pythonhosted.org/packages/bf/5e/09cc4a22892e2f643836023cea7eab2ffc2b8ce006b86fa49e7381b76467/reinvent_hitl_scoring-0.0.6.tar.gz 2024-09-27T14:08:59,938 Removed reinvent-hitl-scoring==0.0.6 from https://files.pythonhosted.org/packages/bf/5e/09cc4a22892e2f643836023cea7eab2ffc2b8ce006b86fa49e7381b76467/reinvent_hitl_scoring-0.0.6.tar.gz from build tracker '/tmp/pip-build-tracker-728jo5yj' 2024-09-27T14:08:59,942 Created temporary directory: /tmp/pip-unpack-26fv2gtt 2024-09-27T14:08:59,943 Created temporary directory: /tmp/pip-unpack-ko0v1gdl 2024-09-27T14:08:59,944 Building wheels for collected packages: reinvent-hitl-scoring 2024-09-27T14:08:59,948 Created temporary directory: /tmp/pip-wheel-g0gsutwu 2024-09-27T14:08:59,949 Building wheel for reinvent-hitl-scoring (setup.py): started 2024-09-27T14:08:59,950 Destination directory: /tmp/pip-wheel-g0gsutwu 2024-09-27T14:08:59,950 Running command python setup.py bdist_wheel 2024-09-27T14:09:00,994 running bdist_wheel 2024-09-27T14:09:01,133 running build 2024-09-27T14:09:01,133 running build_py 2024-09-27T14:09:01,163 creating build/lib/reinvent_scoring 2024-09-27T14:09:01,165 copying reinvent_scoring/__init__.py -> build/lib/reinvent_scoring 2024-09-27T14:09:01,168 creating build/lib/reinvent_scoring/configs 2024-09-27T14:09:01,169 copying reinvent_scoring/configs/config.py -> build/lib/reinvent_scoring/configs 2024-09-27T14:09:01,172 copying reinvent_scoring/configs/__init__.py -> build/lib/reinvent_scoring/configs 2024-09-27T14:09:01,174 creating build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,175 copying reinvent_scoring/scoring/scoring_function_factory.py -> build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,177 copying reinvent_scoring/scoring/component_parameters.py -> build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,179 copying reinvent_scoring/scoring/__init__.py -> build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,181 copying reinvent_scoring/scoring/scoring_function_parameters.py -> build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,183 copying reinvent_scoring/scoring/score_transformations.py -> build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,185 copying reinvent_scoring/scoring/score_summary.py -> build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,187 copying reinvent_scoring/scoring/utils.py -> build/lib/reinvent_scoring/scoring 2024-09-27T14:09:01,190 creating build/lib/reinvent_scoring/scoring/function 2024-09-27T14:09:01,191 copying reinvent_scoring/scoring/function/base_scoring_function.py -> build/lib/reinvent_scoring/scoring/function 2024-09-27T14:09:01,193 copying reinvent_scoring/scoring/function/custom_product.py -> build/lib/reinvent_scoring/scoring/function 2024-09-27T14:09:01,195 copying reinvent_scoring/scoring/function/__init__.py -> build/lib/reinvent_scoring/scoring/function 2024-09-27T14:09:01,197 copying reinvent_scoring/scoring/function/custom_sum.py -> build/lib/reinvent_scoring/scoring/function 2024-09-27T14:09:01,200 creating build/lib/reinvent_scoring/scoring/diversity_filters 2024-09-27T14:09:01,201 copying reinvent_scoring/scoring/diversity_filters/__init__.py -> build/lib/reinvent_scoring/scoring/diversity_filters 2024-09-27T14:09:01,204 creating build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,205 copying reinvent_scoring/scoring/enums/scoring_function_component_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,207 copying reinvent_scoring/scoring/enums/scoring_function_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,209 copying reinvent_scoring/scoring/enums/rocs_input_file_types_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,211 copying reinvent_scoring/scoring/enums/component_specific_parameters_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,213 copying reinvent_scoring/scoring/enums/diversity_filter_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,214 copying reinvent_scoring/scoring/enums/__init__.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,216 copying reinvent_scoring/scoring/enums/descriptor_types_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,218 copying reinvent_scoring/scoring/enums/rocs_specific_parameters_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,220 copying reinvent_scoring/scoring/enums/rocs_similarity_measures_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,221 copying reinvent_scoring/scoring/enums/logging_mode_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,223 copying reinvent_scoring/scoring/enums/container_type_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,225 copying reinvent_scoring/scoring/enums/transformation_parameters_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,227 copying reinvent_scoring/scoring/enums/environmental_variables_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,228 copying reinvent_scoring/scoring/enums/transformation_type_enum.py -> build/lib/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,231 creating build/lib/reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,232 copying reinvent_scoring/scoring/score_components/base_score_component.py -> build/lib/reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,234 copying reinvent_scoring/scoring/score_components/__init__.py -> build/lib/reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,236 copying reinvent_scoring/scoring/score_components/score_component_factory.py -> build/lib/reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,239 creating build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,240 copying reinvent_scoring/scoring/predictive_model/optuna_container.py -> build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,242 copying reinvent_scoring/scoring/predictive_model/model_container.py -> build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,244 copying reinvent_scoring/scoring/predictive_model/stan_model_container.py -> build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,246 copying reinvent_scoring/scoring/predictive_model/scikit_model_container.py -> build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,248 copying reinvent_scoring/scoring/predictive_model/base_model_container.py -> build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,250 copying reinvent_scoring/scoring/predictive_model/__init__.py -> build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,252 copying reinvent_scoring/scoring/predictive_model/torch_model_container.py -> build/lib/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:01,254 creating build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,256 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/memory_record_dto.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,258 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,260 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/base_diversity_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,262 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter_memory.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,264 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/no_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,266 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/loggable_data_dto.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,268 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/__init__.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,269 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/no_filter_with_penalty.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,271 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/identical_murcko_scaffold.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,273 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/column_names_enum.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,275 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/scaffold_similarity.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,277 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter_parameters.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,279 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/update_diversity_filter_dto.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,281 copying reinvent_scoring/scoring/diversity_filters/curriculum_learning/identical_topological_scaffold.py -> build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,284 creating build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,285 copying reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,287 copying reinvent_scoring/scoring/diversity_filters/lib_invent/base_diversity_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,289 copying reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter_memory.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,291 copying reinvent_scoring/scoring/diversity_filters/lib_invent/no_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,293 copying reinvent_scoring/scoring/diversity_filters/lib_invent/__init__.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,295 copying reinvent_scoring/scoring/diversity_filters/lib_invent/no_filter_with_penalty.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,297 copying reinvent_scoring/scoring/diversity_filters/lib_invent/identical_murcko_scaffold.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,299 copying reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter_parameters.py -> build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,302 creating build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,303 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/no_scaffold_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,305 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,307 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/base_diversity_filter.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,309 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter_memory.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,311 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/__init__.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,314 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/identical_murcko_scaffold.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,316 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/scaffold_similarity.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,317 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter_parameters.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,319 copying reinvent_scoring/scoring/diversity_filters/reinvent_core/identical_topological_scaffold.py -> build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,322 creating build/lib/reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,323 copying reinvent_scoring/scoring/score_components/console_invoked/base_console_invoked_component.py -> build/lib/reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,325 copying reinvent_scoring/scoring/score_components/console_invoked/icolos.py -> build/lib/reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,328 copying reinvent_scoring/scoring/score_components/console_invoked/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,330 creating build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,332 copying reinvent_scoring/scoring/score_components/link_invent/linker_mol_weight.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,334 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_hba.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,336 copying reinvent_scoring/scoring/score_components/link_invent/linker_effective_length.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,337 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_sp2_atoms.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,339 copying reinvent_scoring/scoring/score_components/link_invent/linker_ratio_rotatable_bonds.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,341 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_aromatic_rings.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,343 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_rings.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,345 copying reinvent_scoring/scoring/score_components/link_invent/base_link_invent_component.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,347 copying reinvent_scoring/scoring/score_components/link_invent/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,349 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_aliphatic_rings.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,351 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_hbd.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,353 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_sp_atoms.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,355 copying reinvent_scoring/scoring/score_components/link_invent/linker_num_sp3_atoms.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,357 copying reinvent_scoring/scoring/score_components/link_invent/linker_length_ratio.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,359 copying reinvent_scoring/scoring/score_components/link_invent/linker_graph_length.py -> build/lib/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,361 creating build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,363 copying reinvent_scoring/scoring/score_components/standard/jaccard_distance.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,365 copying reinvent_scoring/scoring/score_components/standard/selectivity_component.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,367 copying reinvent_scoring/scoring/score_components/standard/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,369 copying reinvent_scoring/scoring/score_components/standard/predictive_property_component.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,371 copying reinvent_scoring/scoring/score_components/standard/qed_score.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,373 copying reinvent_scoring/scoring/score_components/standard/tanimoto_similarity.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,375 copying reinvent_scoring/scoring/score_components/standard/custom_alerts_component.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,377 copying reinvent_scoring/scoring/score_components/standard/matching_substructure.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,379 copying reinvent_scoring/scoring/score_components/standard/chemprop_component.py -> build/lib/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,382 creating build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,383 copying reinvent_scoring/scoring/score_components/pip/base_pip_model_component.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,385 copying reinvent_scoring/scoring/score_components/pip/base_pip_model_batching_component.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,388 copying reinvent_scoring/scoring/score_components/pip/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,389 copying reinvent_scoring/scoring/score_components/pip/pip_prediction_component.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,391 copying reinvent_scoring/scoring/score_components/pip/ratpk_pip.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,393 copying reinvent_scoring/scoring/score_components/pip/base_rest_component.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,395 copying reinvent_scoring/scoring/score_components/pip/qptuna_pip_model_component.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,397 copying reinvent_scoring/scoring/score_components/pip/string_pip_prediction_component.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,399 copying reinvent_scoring/scoring/score_components/pip/pip_log_prediction_component.py -> build/lib/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,401 creating build/lib/reinvent_scoring/scoring/score_components/aizynth 2024-09-27T14:09:01,402 copying reinvent_scoring/scoring/score_components/aizynth/building_block_availability_component.py -> build/lib/reinvent_scoring/scoring/score_components/aizynth 2024-09-27T14:09:01,405 copying reinvent_scoring/scoring/score_components/aizynth/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/aizynth 2024-09-27T14:09:01,408 creating build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,409 copying reinvent_scoring/scoring/score_components/physchem/tpsa.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,411 copying reinvent_scoring/scoring/score_components/physchem/num_aliphatic_rings.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,413 copying reinvent_scoring/scoring/score_components/physchem/hba.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,414 copying reinvent_scoring/scoring/score_components/physchem/mol_weight.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,416 copying reinvent_scoring/scoring/score_components/physchem/base_physchem_component.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,418 copying reinvent_scoring/scoring/score_components/physchem/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,420 copying reinvent_scoring/scoring/score_components/physchem/slogp.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,422 copying reinvent_scoring/scoring/score_components/physchem/num_aromatic_rings.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,424 copying reinvent_scoring/scoring/score_components/physchem/num_rings.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,426 copying reinvent_scoring/scoring/score_components/physchem/hbd.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,428 copying reinvent_scoring/scoring/score_components/physchem/rot_bonds.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,430 copying reinvent_scoring/scoring/score_components/physchem/graph_length.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,432 copying reinvent_scoring/scoring/score_components/physchem/number_of_stereo_centers.py -> build/lib/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,435 creating build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,436 copying reinvent_scoring/scoring/score_components/rocs/oehelper.py -> build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,438 copying reinvent_scoring/scoring/score_components/rocs/base_rocs_component.py -> build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,440 copying reinvent_scoring/scoring/score_components/rocs/parallel_rocs_similarity.py -> build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,442 copying reinvent_scoring/scoring/score_components/rocs/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,444 copying reinvent_scoring/scoring/score_components/rocs/default_values.py -> build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,446 copying reinvent_scoring/scoring/score_components/rocs/oefuncs.py -> build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,448 copying reinvent_scoring/scoring/score_components/rocs/rocs_similarity.py -> build/lib/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,451 creating build/lib/reinvent_scoring/scoring/score_components/rest 2024-09-27T14:09:01,452 copying reinvent_scoring/scoring/score_components/rest/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/rest 2024-09-27T14:09:01,454 copying reinvent_scoring/scoring/score_components/rest/general_rest_component.py -> build/lib/reinvent_scoring/scoring/score_components/rest 2024-09-27T14:09:01,456 creating build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,457 copying reinvent_scoring/scoring/score_components/synthetic_accessibility/sascorer.py -> build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,460 copying reinvent_scoring/scoring/score_components/synthetic_accessibility/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,462 copying reinvent_scoring/scoring/score_components/synthetic_accessibility/sas_component.py -> build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,465 creating build/lib/reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:01,466 copying reinvent_scoring/scoring/score_components/structural/azdock.py -> build/lib/reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:01,468 copying reinvent_scoring/scoring/score_components/structural/dockstream.py -> build/lib/reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:01,470 copying reinvent_scoring/scoring/score_components/structural/__init__.py -> build/lib/reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:01,472 copying reinvent_scoring/scoring/score_components/structural/base_structural_component.py -> build/lib/reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:01,483 copying reinvent_scoring/scoring/score_components/synthetic_accessibility/fpscores.pkl.gz -> build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,578 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2024-09-27T14:09:01,579 !! 2024-09-27T14:09:01,580 ******************************************************************************** 2024-09-27T14:09:01,581 Please avoid running ``setup.py`` directly. 2024-09-27T14:09:01,581 Instead, use pypa/build, pypa/installer or other 2024-09-27T14:09:01,582 standards-based tools. 2024-09-27T14:09:01,583 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2024-09-27T14:09:01,583 ******************************************************************************** 2024-09-27T14:09:01,584 !! 2024-09-27T14:09:01,584 self.initialize_options() 2024-09-27T14:09:01,607 installing to build/bdist.linux-armv7l/wheel 2024-09-27T14:09:01,608 running install 2024-09-27T14:09:01,632 running install_lib 2024-09-27T14:09:01,660 creating build/bdist.linux-armv7l/wheel 2024-09-27T14:09:01,662 creating build/bdist.linux-armv7l/wheel/reinvent_scoring 2024-09-27T14:09:01,664 copying build/lib/reinvent_scoring/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring 2024-09-27T14:09:01,666 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/configs 2024-09-27T14:09:01,667 copying build/lib/reinvent_scoring/configs/config.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/configs 2024-09-27T14:09:01,669 copying build/lib/reinvent_scoring/configs/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/configs 2024-09-27T14:09:01,672 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring 2024-09-27T14:09:01,673 copying build/lib/reinvent_scoring/scoring/scoring_function_factory.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring 2024-09-27T14:09:01,675 copying build/lib/reinvent_scoring/scoring/component_parameters.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring 2024-09-27T14:09:01,678 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/function 2024-09-27T14:09:01,679 copying build/lib/reinvent_scoring/scoring/function/base_scoring_function.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/function 2024-09-27T14:09:01,682 copying build/lib/reinvent_scoring/scoring/function/custom_product.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/function 2024-09-27T14:09:01,684 copying build/lib/reinvent_scoring/scoring/function/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/function 2024-09-27T14:09:01,686 copying build/lib/reinvent_scoring/scoring/function/custom_sum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/function 2024-09-27T14:09:01,689 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/diversity_filters 2024-09-27T14:09:01,691 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,693 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/memory_record_dto.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,695 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,696 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/base_diversity_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,698 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter_memory.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,700 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/no_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,702 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/loggable_data_dto.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,704 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,706 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/no_filter_with_penalty.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,708 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/identical_murcko_scaffold.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,710 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/column_names_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,712 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/scaffold_similarity.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,715 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter_parameters.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,717 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/update_diversity_filter_dto.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,719 copying build/lib/reinvent_scoring/scoring/diversity_filters/curriculum_learning/identical_topological_scaffold.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/curriculum_learning 2024-09-27T14:09:01,721 copying build/lib/reinvent_scoring/scoring/diversity_filters/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters 2024-09-27T14:09:01,723 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,724 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,726 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/base_diversity_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,728 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter_memory.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,730 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/no_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,732 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,734 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/no_filter_with_penalty.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,736 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/identical_murcko_scaffold.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,738 copying build/lib/reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter_parameters.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/lib_invent 2024-09-27T14:09:01,741 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,742 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/no_scaffold_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,744 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,746 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/base_diversity_filter.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,748 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter_memory.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,750 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,752 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/identical_murcko_scaffold.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,754 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/scaffold_similarity.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,756 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter_parameters.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,758 copying build/lib/reinvent_scoring/scoring/diversity_filters/reinvent_core/identical_topological_scaffold.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/diversity_filters/reinvent_core 2024-09-27T14:09:01,761 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/enums 2024-09-27T14:09:01,762 copying build/lib/reinvent_scoring/scoring/enums/scoring_function_component_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,764 copying build/lib/reinvent_scoring/scoring/enums/scoring_function_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,766 copying build/lib/reinvent_scoring/scoring/enums/rocs_input_file_types_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,767 copying build/lib/reinvent_scoring/scoring/enums/component_specific_parameters_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,769 copying build/lib/reinvent_scoring/scoring/enums/diversity_filter_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,771 copying build/lib/reinvent_scoring/scoring/enums/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,773 copying build/lib/reinvent_scoring/scoring/enums/descriptor_types_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,775 copying build/lib/reinvent_scoring/scoring/enums/rocs_specific_parameters_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,777 copying build/lib/reinvent_scoring/scoring/enums/rocs_similarity_measures_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,779 copying build/lib/reinvent_scoring/scoring/enums/logging_mode_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,781 copying build/lib/reinvent_scoring/scoring/enums/container_type_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,782 copying build/lib/reinvent_scoring/scoring/enums/transformation_parameters_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,784 copying build/lib/reinvent_scoring/scoring/enums/environmental_variables_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,786 copying build/lib/reinvent_scoring/scoring/enums/transformation_type_enum.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/enums 2024-09-27T14:09:01,789 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,791 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,792 copying build/lib/reinvent_scoring/scoring/score_components/console_invoked/base_console_invoked_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,794 copying build/lib/reinvent_scoring/scoring/score_components/console_invoked/icolos.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,797 copying build/lib/reinvent_scoring/scoring/score_components/console_invoked/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/console_invoked 2024-09-27T14:09:01,799 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,800 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_mol_weight.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,802 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_hba.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,805 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_effective_length.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,807 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_sp2_atoms.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,809 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_ratio_rotatable_bonds.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,811 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_aromatic_rings.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,813 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_rings.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,814 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/base_link_invent_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,816 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,818 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_aliphatic_rings.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,820 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_hbd.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,822 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_sp_atoms.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,824 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_num_sp3_atoms.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,826 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_length_ratio.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,828 copying build/lib/reinvent_scoring/scoring/score_components/link_invent/linker_graph_length.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/link_invent 2024-09-27T14:09:01,831 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,832 copying build/lib/reinvent_scoring/scoring/score_components/standard/jaccard_distance.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,834 copying build/lib/reinvent_scoring/scoring/score_components/standard/selectivity_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,836 copying build/lib/reinvent_scoring/scoring/score_components/standard/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,838 copying build/lib/reinvent_scoring/scoring/score_components/standard/predictive_property_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,841 copying build/lib/reinvent_scoring/scoring/score_components/standard/qed_score.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,842 copying build/lib/reinvent_scoring/scoring/score_components/standard/tanimoto_similarity.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,845 copying build/lib/reinvent_scoring/scoring/score_components/standard/custom_alerts_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,847 copying build/lib/reinvent_scoring/scoring/score_components/standard/matching_substructure.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,849 copying build/lib/reinvent_scoring/scoring/score_components/standard/chemprop_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/standard 2024-09-27T14:09:01,852 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,853 copying build/lib/reinvent_scoring/scoring/score_components/pip/base_pip_model_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,855 copying build/lib/reinvent_scoring/scoring/score_components/pip/base_pip_model_batching_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,857 copying build/lib/reinvent_scoring/scoring/score_components/pip/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,860 copying build/lib/reinvent_scoring/scoring/score_components/pip/pip_prediction_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,862 copying build/lib/reinvent_scoring/scoring/score_components/pip/ratpk_pip.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,863 copying build/lib/reinvent_scoring/scoring/score_components/pip/base_rest_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,865 copying build/lib/reinvent_scoring/scoring/score_components/pip/qptuna_pip_model_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,867 copying build/lib/reinvent_scoring/scoring/score_components/pip/string_pip_prediction_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,869 copying build/lib/reinvent_scoring/scoring/score_components/pip/pip_log_prediction_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/pip 2024-09-27T14:09:01,871 copying build/lib/reinvent_scoring/scoring/score_components/base_score_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,873 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/aizynth 2024-09-27T14:09:01,874 copying build/lib/reinvent_scoring/scoring/score_components/aizynth/building_block_availability_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/aizynth 2024-09-27T14:09:01,877 copying build/lib/reinvent_scoring/scoring/score_components/aizynth/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/aizynth 2024-09-27T14:09:01,878 copying build/lib/reinvent_scoring/scoring/score_components/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,881 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,882 copying build/lib/reinvent_scoring/scoring/score_components/physchem/tpsa.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,884 copying build/lib/reinvent_scoring/scoring/score_components/physchem/num_aliphatic_rings.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,886 copying build/lib/reinvent_scoring/scoring/score_components/physchem/hba.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,889 copying build/lib/reinvent_scoring/scoring/score_components/physchem/mol_weight.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,891 copying build/lib/reinvent_scoring/scoring/score_components/physchem/base_physchem_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,893 copying build/lib/reinvent_scoring/scoring/score_components/physchem/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,895 copying build/lib/reinvent_scoring/scoring/score_components/physchem/slogp.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,897 copying build/lib/reinvent_scoring/scoring/score_components/physchem/num_aromatic_rings.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,899 copying build/lib/reinvent_scoring/scoring/score_components/physchem/num_rings.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,901 copying build/lib/reinvent_scoring/scoring/score_components/physchem/hbd.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,902 copying build/lib/reinvent_scoring/scoring/score_components/physchem/rot_bonds.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,904 copying build/lib/reinvent_scoring/scoring/score_components/physchem/graph_length.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,906 copying build/lib/reinvent_scoring/scoring/score_components/physchem/number_of_stereo_centers.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/physchem 2024-09-27T14:09:01,908 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,910 copying build/lib/reinvent_scoring/scoring/score_components/rocs/oehelper.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,912 copying build/lib/reinvent_scoring/scoring/score_components/rocs/base_rocs_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,914 copying build/lib/reinvent_scoring/scoring/score_components/rocs/parallel_rocs_similarity.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,916 copying build/lib/reinvent_scoring/scoring/score_components/rocs/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,918 copying build/lib/reinvent_scoring/scoring/score_components/rocs/default_values.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,920 copying build/lib/reinvent_scoring/scoring/score_components/rocs/oefuncs.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,922 copying build/lib/reinvent_scoring/scoring/score_components/rocs/rocs_similarity.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rocs 2024-09-27T14:09:01,924 copying build/lib/reinvent_scoring/scoring/score_components/score_component_factory.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components 2024-09-27T14:09:01,927 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/rest 2024-09-27T14:09:01,928 copying build/lib/reinvent_scoring/scoring/score_components/rest/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rest 2024-09-27T14:09:01,930 copying build/lib/reinvent_scoring/scoring/score_components/rest/general_rest_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/rest 2024-09-27T14:09:01,933 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,934 copying build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility/fpscores.pkl.gz -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,993 copying build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility/sascorer.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,995 copying build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:01,997 copying build/lib/reinvent_scoring/scoring/score_components/synthetic_accessibility/sas_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/synthetic_accessibility 2024-09-27T14:09:02,000 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:02,001 copying build/lib/reinvent_scoring/scoring/score_components/structural/azdock.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:02,003 copying build/lib/reinvent_scoring/scoring/score_components/structural/dockstream.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:02,005 copying build/lib/reinvent_scoring/scoring/score_components/structural/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:02,006 copying build/lib/reinvent_scoring/scoring/score_components/structural/base_structural_component.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/score_components/structural 2024-09-27T14:09:02,009 creating build/bdist.linux-armv7l/wheel/reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,010 copying build/lib/reinvent_scoring/scoring/predictive_model/optuna_container.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,012 copying build/lib/reinvent_scoring/scoring/predictive_model/model_container.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,014 copying build/lib/reinvent_scoring/scoring/predictive_model/stan_model_container.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,016 copying build/lib/reinvent_scoring/scoring/predictive_model/scikit_model_container.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,018 copying build/lib/reinvent_scoring/scoring/predictive_model/base_model_container.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,021 copying build/lib/reinvent_scoring/scoring/predictive_model/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,022 copying build/lib/reinvent_scoring/scoring/predictive_model/torch_model_container.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring/predictive_model 2024-09-27T14:09:02,025 copying build/lib/reinvent_scoring/scoring/__init__.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring 2024-09-27T14:09:02,026 copying build/lib/reinvent_scoring/scoring/scoring_function_parameters.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring 2024-09-27T14:09:02,029 copying build/lib/reinvent_scoring/scoring/score_transformations.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring 2024-09-27T14:09:02,031 copying build/lib/reinvent_scoring/scoring/score_summary.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring 2024-09-27T14:09:02,033 copying build/lib/reinvent_scoring/scoring/utils.py -> build/bdist.linux-armv7l/wheel/./reinvent_scoring/scoring 2024-09-27T14:09:02,035 running install_egg_info 2024-09-27T14:09:02,072 running egg_info 2024-09-27T14:09:02,099 writing reinvent_hitl_scoring.egg-info/PKG-INFO 2024-09-27T14:09:02,102 writing dependency_links to reinvent_hitl_scoring.egg-info/dependency_links.txt 2024-09-27T14:09:02,104 writing top-level names to reinvent_hitl_scoring.egg-info/top_level.txt 2024-09-27T14:09:02,153 reading manifest file 'reinvent_hitl_scoring.egg-info/SOURCES.txt' 2024-09-27T14:09:02,162 adding license file 'LICENSE' 2024-09-27T14:09:02,171 writing manifest file 'reinvent_hitl_scoring.egg-info/SOURCES.txt' 2024-09-27T14:09:02,173 Copying reinvent_hitl_scoring.egg-info to build/bdist.linux-armv7l/wheel/./reinvent_hitl_scoring-0.0.6-py3.11.egg-info 2024-09-27T14:09:02,181 running install_scripts 2024-09-27T14:09:02,194 creating build/bdist.linux-armv7l/wheel/reinvent_hitl_scoring-0.0.6.dist-info/WHEEL 2024-09-27T14:09:02,196 creating '/tmp/pip-wheel-g0gsutwu/reinvent_hitl_scoring-0.0.6-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-09-27T14:09:02,199 adding 'reinvent_scoring/__init__.py' 2024-09-27T14:09:02,201 adding 'reinvent_scoring/configs/__init__.py' 2024-09-27T14:09:02,202 adding 'reinvent_scoring/configs/config.py' 2024-09-27T14:09:02,204 adding 'reinvent_scoring/scoring/__init__.py' 2024-09-27T14:09:02,205 adding 'reinvent_scoring/scoring/component_parameters.py' 2024-09-27T14:09:02,207 adding 'reinvent_scoring/scoring/score_summary.py' 2024-09-27T14:09:02,208 adding 'reinvent_scoring/scoring/score_transformations.py' 2024-09-27T14:09:02,209 adding 'reinvent_scoring/scoring/scoring_function_factory.py' 2024-09-27T14:09:02,210 adding 'reinvent_scoring/scoring/scoring_function_parameters.py' 2024-09-27T14:09:02,211 adding 'reinvent_scoring/scoring/utils.py' 2024-09-27T14:09:02,213 adding 'reinvent_scoring/scoring/diversity_filters/__init__.py' 2024-09-27T14:09:02,215 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/__init__.py' 2024-09-27T14:09:02,216 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/base_diversity_filter.py' 2024-09-27T14:09:02,217 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/column_names_enum.py' 2024-09-27T14:09:02,218 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter.py' 2024-09-27T14:09:02,220 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter_memory.py' 2024-09-27T14:09:02,221 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/diversity_filter_parameters.py' 2024-09-27T14:09:02,222 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/identical_murcko_scaffold.py' 2024-09-27T14:09:02,223 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/identical_topological_scaffold.py' 2024-09-27T14:09:02,224 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/loggable_data_dto.py' 2024-09-27T14:09:02,225 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/memory_record_dto.py' 2024-09-27T14:09:02,227 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/no_filter.py' 2024-09-27T14:09:02,228 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/no_filter_with_penalty.py' 2024-09-27T14:09:02,229 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/scaffold_similarity.py' 2024-09-27T14:09:02,231 adding 'reinvent_scoring/scoring/diversity_filters/curriculum_learning/update_diversity_filter_dto.py' 2024-09-27T14:09:02,233 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/__init__.py' 2024-09-27T14:09:02,234 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/base_diversity_filter.py' 2024-09-27T14:09:02,236 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter.py' 2024-09-27T14:09:02,237 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter_memory.py' 2024-09-27T14:09:02,244 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/diversity_filter_parameters.py' 2024-09-27T14:09:02,245 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/identical_murcko_scaffold.py' 2024-09-27T14:09:02,247 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/no_filter.py' 2024-09-27T14:09:02,248 adding 'reinvent_scoring/scoring/diversity_filters/lib_invent/no_filter_with_penalty.py' 2024-09-27T14:09:02,250 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/__init__.py' 2024-09-27T14:09:02,251 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/base_diversity_filter.py' 2024-09-27T14:09:02,252 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter.py' 2024-09-27T14:09:02,254 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter_memory.py' 2024-09-27T14:09:02,255 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/diversity_filter_parameters.py' 2024-09-27T14:09:02,256 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/identical_murcko_scaffold.py' 2024-09-27T14:09:02,257 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/identical_topological_scaffold.py' 2024-09-27T14:09:02,258 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/no_scaffold_filter.py' 2024-09-27T14:09:02,260 adding 'reinvent_scoring/scoring/diversity_filters/reinvent_core/scaffold_similarity.py' 2024-09-27T14:09:02,262 adding 'reinvent_scoring/scoring/enums/__init__.py' 2024-09-27T14:09:02,263 adding 'reinvent_scoring/scoring/enums/component_specific_parameters_enum.py' 2024-09-27T14:09:02,264 adding 'reinvent_scoring/scoring/enums/container_type_enum.py' 2024-09-27T14:09:02,265 adding 'reinvent_scoring/scoring/enums/descriptor_types_enum.py' 2024-09-27T14:09:02,266 adding 'reinvent_scoring/scoring/enums/diversity_filter_enum.py' 2024-09-27T14:09:02,267 adding 'reinvent_scoring/scoring/enums/environmental_variables_enum.py' 2024-09-27T14:09:02,268 adding 'reinvent_scoring/scoring/enums/logging_mode_enum.py' 2024-09-27T14:09:02,269 adding 'reinvent_scoring/scoring/enums/rocs_input_file_types_enum.py' 2024-09-27T14:09:02,270 adding 'reinvent_scoring/scoring/enums/rocs_similarity_measures_enum.py' 2024-09-27T14:09:02,271 adding 'reinvent_scoring/scoring/enums/rocs_specific_parameters_enum.py' 2024-09-27T14:09:02,273 adding 'reinvent_scoring/scoring/enums/scoring_function_component_enum.py' 2024-09-27T14:09:02,274 adding 'reinvent_scoring/scoring/enums/scoring_function_enum.py' 2024-09-27T14:09:02,276 adding 'reinvent_scoring/scoring/enums/transformation_parameters_enum.py' 2024-09-27T14:09:02,277 adding 'reinvent_scoring/scoring/enums/transformation_type_enum.py' 2024-09-27T14:09:02,279 adding 'reinvent_scoring/scoring/function/__init__.py' 2024-09-27T14:09:02,280 adding 'reinvent_scoring/scoring/function/base_scoring_function.py' 2024-09-27T14:09:02,282 adding 'reinvent_scoring/scoring/function/custom_product.py' 2024-09-27T14:09:02,283 adding 'reinvent_scoring/scoring/function/custom_sum.py' 2024-09-27T14:09:02,285 adding 'reinvent_scoring/scoring/predictive_model/__init__.py' 2024-09-27T14:09:02,286 adding 'reinvent_scoring/scoring/predictive_model/base_model_container.py' 2024-09-27T14:09:02,288 adding 'reinvent_scoring/scoring/predictive_model/model_container.py' 2024-09-27T14:09:02,289 adding 'reinvent_scoring/scoring/predictive_model/optuna_container.py' 2024-09-27T14:09:02,290 adding 'reinvent_scoring/scoring/predictive_model/scikit_model_container.py' 2024-09-27T14:09:02,291 adding 'reinvent_scoring/scoring/predictive_model/stan_model_container.py' 2024-09-27T14:09:02,293 adding 'reinvent_scoring/scoring/predictive_model/torch_model_container.py' 2024-09-27T14:09:02,295 adding 'reinvent_scoring/scoring/score_components/__init__.py' 2024-09-27T14:09:02,296 adding 'reinvent_scoring/scoring/score_components/base_score_component.py' 2024-09-27T14:09:02,298 adding 'reinvent_scoring/scoring/score_components/score_component_factory.py' 2024-09-27T14:09:02,299 adding 'reinvent_scoring/scoring/score_components/aizynth/__init__.py' 2024-09-27T14:09:02,301 adding 'reinvent_scoring/scoring/score_components/aizynth/building_block_availability_component.py' 2024-09-27T14:09:02,302 adding 'reinvent_scoring/scoring/score_components/console_invoked/__init__.py' 2024-09-27T14:09:02,304 adding 'reinvent_scoring/scoring/score_components/console_invoked/base_console_invoked_component.py' 2024-09-27T14:09:02,305 adding 'reinvent_scoring/scoring/score_components/console_invoked/icolos.py' 2024-09-27T14:09:02,307 adding 'reinvent_scoring/scoring/score_components/link_invent/__init__.py' 2024-09-27T14:09:02,308 adding 'reinvent_scoring/scoring/score_components/link_invent/base_link_invent_component.py' 2024-09-27T14:09:02,309 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_effective_length.py' 2024-09-27T14:09:02,311 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_graph_length.py' 2024-09-27T14:09:02,312 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_length_ratio.py' 2024-09-27T14:09:02,313 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_mol_weight.py' 2024-09-27T14:09:02,314 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_aliphatic_rings.py' 2024-09-27T14:09:02,315 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_aromatic_rings.py' 2024-09-27T14:09:02,316 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_hba.py' 2024-09-27T14:09:02,317 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_hbd.py' 2024-09-27T14:09:02,318 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_rings.py' 2024-09-27T14:09:02,319 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_sp2_atoms.py' 2024-09-27T14:09:02,320 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_sp3_atoms.py' 2024-09-27T14:09:02,321 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_num_sp_atoms.py' 2024-09-27T14:09:02,322 adding 'reinvent_scoring/scoring/score_components/link_invent/linker_ratio_rotatable_bonds.py' 2024-09-27T14:09:02,324 adding 'reinvent_scoring/scoring/score_components/physchem/__init__.py' 2024-09-27T14:09:02,325 adding 'reinvent_scoring/scoring/score_components/physchem/base_physchem_component.py' 2024-09-27T14:09:02,326 adding 'reinvent_scoring/scoring/score_components/physchem/graph_length.py' 2024-09-27T14:09:02,327 adding 'reinvent_scoring/scoring/score_components/physchem/hba.py' 2024-09-27T14:09:02,329 adding 'reinvent_scoring/scoring/score_components/physchem/hbd.py' 2024-09-27T14:09:02,330 adding 'reinvent_scoring/scoring/score_components/physchem/mol_weight.py' 2024-09-27T14:09:02,331 adding 'reinvent_scoring/scoring/score_components/physchem/num_aliphatic_rings.py' 2024-09-27T14:09:02,332 adding 'reinvent_scoring/scoring/score_components/physchem/num_aromatic_rings.py' 2024-09-27T14:09:02,333 adding 'reinvent_scoring/scoring/score_components/physchem/num_rings.py' 2024-09-27T14:09:02,334 adding 'reinvent_scoring/scoring/score_components/physchem/number_of_stereo_centers.py' 2024-09-27T14:09:02,335 adding 'reinvent_scoring/scoring/score_components/physchem/rot_bonds.py' 2024-09-27T14:09:02,336 adding 'reinvent_scoring/scoring/score_components/physchem/slogp.py' 2024-09-27T14:09:02,338 adding 'reinvent_scoring/scoring/score_components/physchem/tpsa.py' 2024-09-27T14:09:02,339 adding 'reinvent_scoring/scoring/score_components/pip/__init__.py' 2024-09-27T14:09:02,341 adding 'reinvent_scoring/scoring/score_components/pip/base_pip_model_batching_component.py' 2024-09-27T14:09:02,342 adding 'reinvent_scoring/scoring/score_components/pip/base_pip_model_component.py' 2024-09-27T14:09:02,343 adding 'reinvent_scoring/scoring/score_components/pip/base_rest_component.py' 2024-09-27T14:09:02,344 adding 'reinvent_scoring/scoring/score_components/pip/pip_log_prediction_component.py' 2024-09-27T14:09:02,345 adding 'reinvent_scoring/scoring/score_components/pip/pip_prediction_component.py' 2024-09-27T14:09:02,347 adding 'reinvent_scoring/scoring/score_components/pip/qptuna_pip_model_component.py' 2024-09-27T14:09:02,348 adding 'reinvent_scoring/scoring/score_components/pip/ratpk_pip.py' 2024-09-27T14:09:02,349 adding 'reinvent_scoring/scoring/score_components/pip/string_pip_prediction_component.py' 2024-09-27T14:09:02,351 adding 'reinvent_scoring/scoring/score_components/rest/__init__.py' 2024-09-27T14:09:02,352 adding 'reinvent_scoring/scoring/score_components/rest/general_rest_component.py' 2024-09-27T14:09:02,354 adding 'reinvent_scoring/scoring/score_components/rocs/__init__.py' 2024-09-27T14:09:02,355 adding 'reinvent_scoring/scoring/score_components/rocs/base_rocs_component.py' 2024-09-27T14:09:02,356 adding 'reinvent_scoring/scoring/score_components/rocs/default_values.py' 2024-09-27T14:09:02,357 adding 'reinvent_scoring/scoring/score_components/rocs/oefuncs.py' 2024-09-27T14:09:02,359 adding 'reinvent_scoring/scoring/score_components/rocs/oehelper.py' 2024-09-27T14:09:02,361 adding 'reinvent_scoring/scoring/score_components/rocs/parallel_rocs_similarity.py' 2024-09-27T14:09:02,362 adding 'reinvent_scoring/scoring/score_components/rocs/rocs_similarity.py' 2024-09-27T14:09:02,364 adding 'reinvent_scoring/scoring/score_components/standard/__init__.py' 2024-09-27T14:09:02,365 adding 'reinvent_scoring/scoring/score_components/standard/chemprop_component.py' 2024-09-27T14:09:02,366 adding 'reinvent_scoring/scoring/score_components/standard/custom_alerts_component.py' 2024-09-27T14:09:02,367 adding 'reinvent_scoring/scoring/score_components/standard/jaccard_distance.py' 2024-09-27T14:09:02,368 adding 'reinvent_scoring/scoring/score_components/standard/matching_substructure.py' 2024-09-27T14:09:02,370 adding 'reinvent_scoring/scoring/score_components/standard/predictive_property_component.py' 2024-09-27T14:09:02,371 adding 'reinvent_scoring/scoring/score_components/standard/qed_score.py' 2024-09-27T14:09:02,372 adding 'reinvent_scoring/scoring/score_components/standard/selectivity_component.py' 2024-09-27T14:09:02,374 adding 'reinvent_scoring/scoring/score_components/standard/tanimoto_similarity.py' 2024-09-27T14:09:02,375 adding 'reinvent_scoring/scoring/score_components/structural/__init__.py' 2024-09-27T14:09:02,376 adding 'reinvent_scoring/scoring/score_components/structural/azdock.py' 2024-09-27T14:09:02,378 adding 'reinvent_scoring/scoring/score_components/structural/base_structural_component.py' 2024-09-27T14:09:02,379 adding 'reinvent_scoring/scoring/score_components/structural/dockstream.py' 2024-09-27T14:09:02,381 adding 'reinvent_scoring/scoring/score_components/synthetic_accessibility/__init__.py' 2024-09-27T14:09:02,791 adding 'reinvent_scoring/scoring/score_components/synthetic_accessibility/fpscores.pkl.gz' 2024-09-27T14:09:02,816 adding 'reinvent_scoring/scoring/score_components/synthetic_accessibility/sas_component.py' 2024-09-27T14:09:02,818 adding 'reinvent_scoring/scoring/score_components/synthetic_accessibility/sascorer.py' 2024-09-27T14:09:02,820 adding 'reinvent_hitl_scoring-0.0.6.dist-info/LICENSE' 2024-09-27T14:09:02,821 adding 'reinvent_hitl_scoring-0.0.6.dist-info/METADATA' 2024-09-27T14:09:02,822 adding 'reinvent_hitl_scoring-0.0.6.dist-info/WHEEL' 2024-09-27T14:09:02,823 adding 'reinvent_hitl_scoring-0.0.6.dist-info/top_level.txt' 2024-09-27T14:09:02,826 adding 'reinvent_hitl_scoring-0.0.6.dist-info/RECORD' 2024-09-27T14:09:02,875 removing build/bdist.linux-armv7l/wheel 2024-09-27T14:09:03,025 Building wheel for reinvent-hitl-scoring (setup.py): finished with status 'done' 2024-09-27T14:09:03,067 Created wheel for reinvent-hitl-scoring: filename=reinvent_hitl_scoring-0.0.6-py3-none-any.whl size=3957992 sha256=0f379b389c6fb6a5dff8f27b33b2b4742f8a3b6de4d1478315c75656b244d5db 2024-09-27T14:09:03,068 Stored in directory: /tmp/pip-ephem-wheel-cache-_hrc059r/wheels/2e/dc/03/f9cd83d600d566a46edaf1cf2510d8d70af2caa9c15eef2476 2024-09-27T14:09:03,083 Successfully built reinvent-hitl-scoring 2024-09-27T14:09:03,186 Removed build tracker: '/tmp/pip-build-tracker-728jo5yj'