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pymatgen

K-Dense-AI/claude-scientific-skills
28,042Added Jun 5, 2026
materials-sciencecrystal-structuresphase-diagramsband-structurematerials-projectcomputational-chemistry

Summary

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

SKILL.md