pandas==2.0.3
hydra-core==1.3.2
ray==2.6.3
rdkit-pypi
torch-geometric==2.3.1
torch-scatter==2.1.1 -f https://data.pyg.org/whl/torch-2.0.0+cu118.html
torch-sparse==0.6.17 -f https://data.pyg.org/whl/torch-2.0.0+cu118.html