PyPI page
Author:
Keqiang Yan, Montgomery Bohde, Andrii Kryvenko, Ziyu Xiang
Summary:
A machine learning potential energy project HIENet from AIRS
Latest version:
1.0.2
Required dependencies:
ase
|
braceexpand
|
e3nn
|
pymatgen
|
pymatviz
|
pyyaml
|
scikit-learn
|
torch
|
torch-geometric
|
torch-scatter
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