pypi.org "gpumd" keyword
calorine 4.1
A Python library for building and sampling NEP models via the GPUMD package22 versions - Latest release: 14 days ago - 1 dependent package - 2.37 thousand downloads last month - 13 stars on gitlab.com - 2 maintainers
pymdkit 1.7.4
A Python command-line toolkit for high-throughput atomistic workflows in AI-driven materials design.68 versions - Latest release: 1 day ago - 417 downloads last month - 1 maintainer
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