protfasta==0.1.15.2
pytorch_lightning==2.0.7
numpy==1.26.4
hydra-core==1.3.2
wandb==0.18.7
lmdb==1.5.1
dm-tree==0.1.7
scipy==1.10.1
biopython==1.80
ipdb==0.13.11
ml_collections==0.1.1
mdtraj==1.10.2
openmm==8.1.1
git+https://github.com/openmm/pdbfixer.git@v1.8.1
tmtools==0.0.2
POT==0.9.5
einops==0.6.0
geomstats==2.7.0
gputil==1.4.0
torch==2.2.1
opt_einsum==3.4.0
e3nn==0.3.3
pynvml==11.0.0
decorator==5.1.0
fair-esm==2.0.0
pandas==1.4.0

# installation of following packages requires environment information
# pip install torch-scatter -f https://data.pyg.org/whl/torch-2.2.1+cu118.html
# pip install  dgl -f https://data.dgl.ai/wheels/torch-2.2/cu118/repo.html