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Author:
None
License:
MIT License
Copyright (c) 2023-25 John Gardner
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated do...
Summary:
Potential Energy Surfaces on Graphs
Latest version:
0.2.5
Required dependencies:
ase
|
dacite
|
data2objects
|
e3nn
|
load-atoms
|
locache
|
numpy
|
pytorch-lightning
|
rich
|
scikit-learn
|
torch
|
vesin
|
wandb
Optional dependencies:
build
|
furo
|
nbsphinx
|
pytest
|
pytest-cov
|
sphinx
|
sphinx-copybutton
|
sphinx-design
|
sphinxext-opengraph
|
twine
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