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Running
| -f https://download.pytorch.org/whl/cpu/torch_stable.html | |
| -f https://data.pyg.org/whl/torch-2.0.1+cpu.html | |
| pandas | |
| numpy | |
| lmdb | |
| # python-lmdb | |
| # git+https://github.com/jnwatson/py-lmdb.git | |
| git+https://github.com/microsoft/protein-sequence-models.git | |
| mlflow | |
| scikit-learn | |
| seaborn | |
| blosum | |
| matplotlib | |
| fair-esm | |
| biotite>=0.40 | |
| tqdm | |
| # git+https://github.com/HeliXonProtein/OmegaFold.git | |
| mdanalysis | |
| pdb-tools | |
| evodiff | |
| torch==2.0.1 | |
| torchvision | |
| torch_geometric | |
| torch_scatter | |
| py3Dmol | |
| # jax[cpu]==0.4.13 | |
| colabfold[alphafold-minus-jax]@git+https://github.com/sokrypton/ColabFold |