PyPI page
Author:
The calorine developers team
Summary:
A Python library for building and sampling NEP models via the GPUMD package
Latest version:
4.1
Required dependencies:
ase
|
numpy
|
pandas
|
scikit-learn
|
scipy
Optional dependencies:
coverage
|
flake8
|
flake8-quotes
|
matplotlib
|
nbmake
|
nbsphinx
|
phonopy
|
pydata-sphinx-theme
|
pytest
|
spglib
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx-design
|
sphinx-sitemap
|
torch
|
tqdm
|
xdoctest
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