PyPI page
Author:
Teresa Head-Gordon
License:
MIT
Summary:
A Newtonian message passing network for deep learning of interatomic potentials and forces
Latest version:
2.0.1
Required dependencies:
ase
|
numpy
|
pandas
|
pyyaml
|
scikit-learn
|
scipy
|
torch
|
torch-cluster
|
torch-geometric
|
torch-scatter
|
tqdm
|
wandb
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