pymatgen
About
The pymatgen skill provides a comprehensive Python materials science toolkit for developers working with crystal structures and computational materials data. It enables creation/manipulation of structures, phase diagram calculations, electronic structure analysis, and integration with the Materials Project database. Use this skill for format conversions, symmetry analysis, and accessing 100+ supported file formats from various computational codes.
Quick Install
Claude Code
Recommendednpx skills add mdbabumiamssm/LLMs-Universal-Life-Science-and-Clinical-Skills- -a claude-code/plugin add https://github.com/mdbabumiamssm/LLMs-Universal-Life-Science-and-Clinical-Skills-git clone https://github.com/mdbabumiamssm/LLMs-Universal-Life-Science-and-Clinical-Skills-.git ~/.claude/skills/pymatgenCopy and paste this command in Claude Code to install this skill
GitHub Repository
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