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pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials…

Industry: software-engineering
License: Unverified
Source repo: K-Dense-AI/scientific-agent-skills · ★ 30,891
Source file: skills/pymatgen/SKILL.md

View full SKILL.md on GitHub →

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