# Keep torch pinned during the second pass to avoid ABI drift to newer torch releases.
--find-links https://download.pytorch.org/whl/torch_stable.html
torch==1.7.1+cpu

# PyG extensions compiled for the torch 1.7.1+cpu ABI.
--find-links https://data.pyg.org/whl/torch-1.7.1+cpu.html
torch-scatter==2.0.6
torch-sparse==0.6.9
torch-geometric==1.6.3

PyYAML
rdkit
urllib3<2
selfies