torch==1.12.1
torchvision==0.13.1
torchaudio==0.12.1
dgl>=1.0.2
numpy
pandas
packaging
PyYAML
pydantic
scipy
matplotlib
rdkit-pypi
networkx
psutil
tqdm
scikit-learn
biopython
charset-normalizer==3.1.0
requests==2.28.2
