py-pymatgen

v 2024.7.18 Updated: 3 months ago

Python Materials Genomics (pymatgen) is a robust materials analysis code

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

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

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https://pymatgen.org/

Installable ports: