| --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 |
|
|
