git+https://github.com/biopython/biopython.git@biopython-180
git+https://github.com/Acellera/moleculekit.git@1.5.9
numpy==1.22
pandas==1.3.4
scipy==1.7.0
torch
plotly
tqdm
mdtraj
transformers
accelerate
absl-py==0.13.0