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pymatgen

davila7/claude-code-templates

Pymatgen is a comprehensive Python library for materials analysis that powers the Materials Project. Create, analyze, and manipulate crystal structures and molecules, compute phase diagrams and thermodynamic properties, analyze electronic structure (band structures, DOS), generate surfaces and interfaces, and access...

Installs174
Install command
npx skills add https://github.com/davila7/claude-code-templates --skill pymatgen
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About this skill
Pymatgen is a comprehensive Python library for materials analysis that powers the Materials Project. Create, analyze, and manipulate crystal structures and molecules, compute phase diagrams and thermodynamic properties, analyze electronic structure (band structures, DOS), generate surfaces and interfaces, and access Materials Project's database of computed materials. Supports 100+ file formats from various computational codes. This skill should be used when: Create structures using various methods and perform transformations. From files: From scratch: Transformations: Reference: See references/core_classes.md for comprehensive documentation of Structure, Lattice, Molecule, and related classes. Convert between 100+ file formats with automatic format detection. Using convenience methods: Using the conversion script: Reference: See references/io_formats.md for detailed documentation of all supported formats and code integrations. Analyze structures for symmetry, coordination, and other properties.

Source description provided by the upstream skill listing. Community reviews and install context appear in the sections below.

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FAQ
What does pymatgen do?

Pymatgen is a comprehensive Python library for materials analysis that powers the Materials Project. Create, analyze, and manipulate crystal structures and molecules, compute phase diagrams and thermodynamic properties, analyze electronic structure (band structures, DOS), generate surfaces and interfaces, and access...

Is pymatgen good?

pymatgen does not have approved reviews yet, so SkillJury cannot publish a community verdict.

What agent does pymatgen work with?

pymatgen currently lists compatibility with codex, gemini-cli, opencode, cursor, claude-code, antigravity.

What are alternatives to pymatgen?

Skills in the same category include telegram-bot-builder, flutter-app-size, sharp-edges, iterative-retrieval.

How do I install pymatgen?

npx skills add https://github.com/davila7/claude-code-templates --skill pymatgen

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