| name: foldflow-env | |
| channels: | |
| - pytorch | |
| - nvidia | |
| - anaconda | |
| - conda-forge | |
| - defaults | |
| dependencies: | |
| - python>=3.8,<3.11 | |
| - pytorch<2 | |
| - libstdcxx-ng | |
| - mdtraj | |
| - pip | |
| # - pdbfixer=1.8.1 | |
| - pip: | |
| - biopython | |
| - click | |
| - corner | |
| - debugpy | |
| - dm-tree | |
| - einops | |
| - fair-esm | |
| - git+https://github.com/joeybose/geomstats.git | |
| - gputil | |
| - hydra-core | |
| - hydra-joblib-launcher | |
| - ipdb | |
| - lightning | |
| - lmdb | |
| - ml-collections | |
| - numpy | |
| - pandas | |
| - pot | |
| - pytest | |
| - tmtools | |
| - tqdm | |
| - wandb>=0.15.1 | |
| - OpenMM | |
| - pydantic | |
| - biotite | |
| - -e . |