"Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science."
8.7
Rating
0
Installs
Data & Analytics
Category
Exceptional materials science skill with comprehensive coverage of pymatgen capabilities. The SKILL.md provides clear, actionable documentation that enables a CLI agent to perform complex materials analysis tasks including crystal structure manipulation, phase diagram generation, electronic structure analysis, and Materials Project integration. The skill is well-structured with concise overview sections and references to detailed documentation files. Code examples are practical and production-ready. The skill addresses genuinely complex computational chemistry workflows that would require extensive token usage for a CLI agent to implement from scratch, demonstrating strong novelty value. Minor improvement possible in explicitly cross-referencing all bundled scripts within relevant capability sections.
Loading SKILL.md…

Skill Author