File size: 673 Bytes
f34af6f | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 | 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 . |