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.

PythonCythonpythonsciencematerialsmaterials-sciencematerials-informatics
This is stars and forks stats for /materialsproject/pymatgen repository. As of 05 May, 2024 this repository has 1170 stars and 764 forks.

Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features: Highly flexible classes for the representation of Element, Site, Molecule and Structure objects. Extensive input/output support, including support for VASP, ABINIT, CIF, Gaussian, XYZ, and many other file formats. Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc. Electronic structure analyses,...
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