ProteinMPNN / requirements.txt
Simon Duerr
add sasa and plddt selection
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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
jax[cuda]
jaxlib==0.3.7
ml-collections==0.1.0
numpy
pandas==1.3.4
scipy==1.7.0
tensorflow
torch
plotly
GPUtil
ray
tqdm
gradio==3.1
protobuf<4
-f https://storage.googleapis.com/jax-releases/jax_releases.html