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pymatgen

8.7

by davila7

93Favorites
373Upvotes
0Downvotes

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

materials science

8.7

Rating

0

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Data & Analytics

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Quick Review

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.

LLM Signals

Description coverage9
Task knowledge10
Structure9
Novelty9

GitHub Signals

18,073
1,635
132
71
Last commit 0 days ago

Publisher

davila7

davila7

Skill Author

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davila7

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