materialsproject/pymatgen

pymatgen

✅ Recently maintained

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 · License unverified · Last push 2026-10-29

Official repository & installation ↗
materialssciencematerials-sciencematerials-informaticspython

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Get the project

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

Cloning downloads the source. For dependencies and installation, follow the project README.

Related projects & alternative candidates

Related domains do not imply feature parity. Review official documentation and licenses.