openbabel_wheel==3.1.1.19
Bio==1.6.0
biopython==1.80
dgl==0.9.1
easydict==1.9
gpustat==1.1
joblib==1.1.1
numpy==1.21.5
oddt==0.7
pandas==1.3.5
ProDy==2.1.0
PyYAML==6.0
rdkit==2023.3.3
Requests==2.31.0
scikit_learn==1.0.2
scipy==1.7.3
torch==1.11.0
tqdm==4.65.0