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.

1 best points · 0 comments · 1 Hacker News post · 2,007 GitHub stars · View on GitHub

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• Pymatgen – Python Materials Genomics library for VASP and ABINIT (1 points, 0 comments, by un_publishable, 2014-08-01)