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Author:
DP Technology
License:
The MIT License
Summary:
unimol_tools is a Python package for property prediction with Uni-Mol in molecule, materials and protein.
Latest version:
0.1.5
Required dependencies:
addict
|
hydra-core
|
joblib
|
lmdb
|
numba
|
numpy
|
omegaconf
|
pandas
|
pyyaml
|
rdkit
|
scikit-learn
|
tensorboard
|
torch
|
tqdm
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