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unimol-tools

unimol_tools is a Python package for property prediction with Uni-Mol in molecule, materials and protein.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install unimol-tools

Dependencies

• rdkit
• numba
• torch
• pyyaml
• scikit-learn
• tqdm
• pandas
• addict
• numpy
• joblib

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Files
0.1.4.post1	2025-05-28
unimol_tools-0.1.4.post1-py3-none-any.whl (72 KB)
0.1.4	2025-05-26
unimol_tools-0.1.4-py3-none-any.whl (71 KB)
0.1.3.post1	2025-04-07
unimol_tools-0.1.3.post1-py3-none-any.whl (69 KB)
0.1.3	2025-03-28
unimol_tools-0.1.3-py3-none-any.whl (69 KB)
0.1.2.post2	2025-01-06
unimol_tools-0.1.2.post2-py3-none-any.whl (66 KB)
0.1.2.post1	2024-12-26
unimol_tools-0.1.2.post1-py3-none-any.whl (66 KB)
0.1.2	2024-12-23
unimol_tools-0.1.2-py3-none-any.whl (65 KB)
0.1.1.post1	2024-11-29
unimol_tools-0.1.1.post1-py3-none-any.whl (65 KB)
0.1.1	2024-11-21
unimol_tools-0.1.1-py3-none-any.whl (64 KB)
0.1.0.post4	2024-09-09
unimol_tools-0.1.0.post4-py3-none-any.whl (50 KB)
0.1.0.post3	2024-09-09
unimol_tools-0.1.0.post3-py3-none-any.whl (50 KB)
0.1.0.post2	2024-07-24
unimol_tools-0.1.0.post2-py3-none-any.whl (48 KB)
0.1.0.post1	2024-06-25
unimol_tools-0.1.0.post1-py3-none-any.whl (48 KB)

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