--extra-index-url https://download.pytorch.org/whl/cu117
--find-links https://pytorch-geometric.com/whl/torch-1.13.1+cu117.html
# Note: openfold build may fail if torch not installed first, so it should be installed separately.
# Here for reference.
torch==1.13.1+cu117
dllogger@git+https://github.com/NVIDIA/dllogger.git
e3nn==0.5.0
fair-esm[esmfold]==2.0.0
networkx==2.8.4
openfold@git+https://github.com/aqlaboratory/openfold.git@4b41059694619831a7db195b7e0988fc4ff3a307
pandas==1.5.1
prody==2.2.0
prody==2.2.0
pybind11==2.11.1
rdkit==2022.03.3
scikit-learn==1.1.0
scipy==1.12.0
torch==1.13.1+cu117
torch-cluster==1.6.0+pt113cu117
torch-geometric==2.2.0
torch-scatter==2.1.0+pt113cu117
torch-sparse==0.6.16+pt113cu117
torch-spline-conv==1.2.1+pt113cu117
torchmetrics==0.11.0