materialsproject/pymatgen

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.

GitHub repository with 1,901 stars and 954 forks.

Language: Python

Topics: materials, materials-informatics, materials-science, python, science

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2026-06-02: 1,901 stars and 954 forks.

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