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calorine


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Author: The calorine developers team
License: Mozilla Public License Version 2.0 ================================== 1. Definitions -------------- 1.1. "Contributor" means each individu...
Summary: A Python library for building and sampling NEP models via the GPUMD package
Latest version: 3.4
Required dependencies: ase | matplotlib | numpy | pandas | scikit-learn
Optional dependencies: coverage | flake8 | nbmake | nbsphinx | phonopy | pydata-sphinx-theme | pytest | sphinx-autodoc-typehints | sphinx-design | sphinx-sitemap | torch | tqdm | xdoctest

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