pymatgen
pymatgen is a Chemistry & materials skill for AI agents, published by jkitchin in the skillz repository on GitHub. Skillspace rates pymatgen D (68/100) and it passed the safety scan; the rating is based on static analysis only.
Comprehensive guidance for using pymatgen (Python Materials Genomics) for computational materials science. Covers structure creation and manipulation, file I/O (CIF, POSCAR, XYZ), symmetry analysis, Materials Project API integration, phase diagrams, electronic structure analysis, and DFT input generation. Use when working with crystal structures, materials properties, computational chemistry calculations, or materials databases. Triggers include 'pymatgen', 'crystal structure', 'Materials Project', 'CIF file', 'POSCAR', 'band structure', 'phase diagram', or materials analysis tasks.
- Grade
- D
- Quality
- 68 / 100
- Safety
- Passed
- GitHub stars
- 31
Unproven: rated by static analysis only, not yet compared head-to-head.
This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.
Our review
- Architecture
- 84 / 100
- Maturity
- Structured: ships references or scripts
- Security scan
- Low-risk patterns
- License
- MIT
- Adoption
- Adopted by 0 other repositories, in 0 collections
What the scanner flagged
- over-broad allowed-tools ('*')
Not checked yet
- Category is a classifier prediction; no model has read this skill yet
- Not judged on the rubric yet (not a contender in its category)
- No blind task eval yet
- Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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