numpy==1.22.0
pandas==1.3.3
ray==1.10.0
rdkit-pypi
torch-geometric==1.6.3
torch-scatter==2.0.5 -f https://pytorch-geometric.com/whl/torch-1.7.0+cu113.html
torch-sparse==0.6.8 -f https://pytorch-geometric.com/whl/torch-1.7.0+cu113.html
tqdm==4.36.1