absl-py==0.13.0
git+https://github.com/biopython/biopython.git
git+https://github.com/Acellera/moleculekit.git
chex==0.0.7
dm-haiku==0.0.5
dm-tree==0.1.6
docker==5.0.0
immutabledict==2.0.0
https://storage.googleapis.com/jax-releases/jax/jax-0.3.7.tar.gz
https://storage.googleapis.com/jax-releases/cuda11/jaxlib-0.3.7+cuda11.cudnn805-cp310-none-manylinux2014_x86_64.whl
ml-collections==0.1.0
numpy
pandas==1.3.4
scipy
tensorflow-gpu==2.8.4
torch
plotly
GPUtil
ray==1.13.0
tqdm
protobuf<4
mdtraj
-f https://storage.googleapis.com/jax-releases/jax_releases.html