pymatgen

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

by overtimepog· Repository·data

Run in AgentArea Browse All Skills

Also installable via skills CLI

npx skills add overtimepog/AgentTheo/.claude/skills/scientific-skills/pymatgen

Source

Repo:github.com/overtimepog/AgentTheo

Path:.claude/skills/scientific-skills/pymatgen/SKILL.md(main)

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