pymatgen-core

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library 2026.4.16 ·python
verified May 1, 2026

Python Materials Genomics (pymatgen) core library for materials analysis, providing object representations for structures, molecules, and crystals. Current version 2026.4.16, released April 2026. Active development with monthly releases, compatible with Python >= 3.11. This package is a refactored subset of the original pymatgen, focusing on core data structures and basic I/O.

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