PyPI page
Author:
Nicholas Gao
Summary:
A toolkit for building high-performance molecular simulations on JAX.
Latest version:
1.0.8
Required dependencies:
ase
|
einops
|
etils
|
flatbuffers
|
h5py
|
hdf5plugin
|
jax
|
jsonargparse
|
matplotlib
|
msgpack
|
nanoargs
|
optax
|
packaging
|
pint
|
rich
|
slub
|
tqdm
Optional dependencies:
fairchem-core
|
huggingface-hub
|
jax
|
mace-torch
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