pymatgen
Provides Python-based tools for materials science research, including crystal structure manipulation, file format conversion, phase diagram calculation, and direct access to the Materials Project database. It handles common computational chemistry workflows and integrates with VASP, Quantum ESPRESSO outputs.
Packaged view
This page reorganizes the original catalog entry around fit, installability, and workflow context first. The original raw source lives below.
Install command
npx @skill-hub/cli install microck-ordinary-claude-skills-pymatgen
Repository
Skill path: skills_all/claude-scientific-skills/scientific-skills/pymatgen
Provides Python-based tools for materials science research, including crystal structure manipulation, file format conversion, phase diagram calculation, and direct access to the Materials Project database. It handles common computational chemistry workflows and integrates with VASP, Quantum ESPRESSO outputs.
Open repositoryBest for
Primary workflow: Research & Ops.
Technical facets: Full Stack, Backend, Data / AI, Integration.
Target audience: Research teams looking for install-ready agent workflows..
License: Unknown.
Original source
Catalog source: SkillHub Club.
Repository owner: Microck.
This is still a mirrored public skill entry. Review the repository before installing into production workflows.
What it helps with
- Install pymatgen into Claude Code, Codex CLI, Gemini CLI, or OpenCode workflows
- Review https://github.com/Microck/ordinary-claude-skills before adding pymatgen to shared team environments
- Use pymatgen for research workflows
Works across
Favorites: 0.
Sub-skills: 0.
Aggregator: No.