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Summary:
Biomolecular emulator
Latest version:
1.4.1
Required dependencies:
absl-py
|
bio
|
dm-haiku
|
dm-tree
|
einops
|
fire
|
huggingface-hub
|
hydra-core
|
jax
|
matplotlib
|
mdtraj
|
ml-collections
|
modelcif
|
requests
|
stackprinter
|
tensorflow-cpu
|
torch
|
torch-geometric
|
tqdm
|
typer
Optional dependencies:
jax
|
nvidia-cuda-nvcc-cu12
|
openmm
|
openmm-cuda-12
|
pre-commit
|
pytest
|
pytest-cov
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