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Author:
None
License:
MIT
Summary:
PyTorch implementation of So3krates neural network potential for atomistic simulations
Latest version:
0.2.0
Required dependencies:
ase
|
h5py
|
matscipy
|
numpy
|
prettytable
|
pydantic
|
pyyaml
|
torch
|
torch-ema
|
torch-geometric
|
torchmetrics
Optional dependencies:
flax
|
jax
|
matplotlib
|
ml-collections
|
pandas
|
pre-commit
|
pytest
|
python-hostlist
|
torch-pme
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