materialsproject/pymatgen

pymatgen

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Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

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Python · 许可证待核验 · 最近推送 2026-10-29

官方仓库与安装文档 ↗

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2025-09-292026-11-03
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获取项目

git clone https://github.com/materialsproject/pymatgen.git

克隆仅获取源码;依赖与安装步骤请参照项目的 README.

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