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Pymatgen Agent Skill

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

5k tokens
context cost
SKILL.md, read when the skill is used
10
files
ships runnable scripts
2
copies elsewhere
how many repositories repackaged it
59
stars on the repo
on the repository, not the skill itself

Install

one command, takes just this skill from the repository
npx skills add https://github.com/ComeOnOliver/skillshub --skill pymatgen

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How to use it

Copy the folder

Take comeonoliver/skillshub-pymatgen from the repository into ~/.claude/skills for personal use, or into .claude/skills inside a project.

Check the name does not clash

The agent identifies a skill by the name field in its header. Two skills with the same name cannot sit side by side — one of them will be ignored.

Install what it needs

The instructions reference pip, uv. Without those the skill loads but fails at the first command.