pymatgen
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
- Skills
- Scientific
- 7
What it does and how to use it
A skill that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.
- Install the skill (command above).
- In Claude Code, describe what you need - the skill turns on by itself when the context fits.
- No commands to memorize: you talk in plain language and the skill does the rest.
Install (Claude Code)
mkdir -p .claude/skills/pymatgen && curl -fsSL https://doutorai.pt/data/lib/skills__pymatgen.md -o .claude/skills/pymatgen/SKILL.mdPaste this command into the terminal, in your project folder, and the component installs automatically.
Content
---
name: pymatgen
description: "Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science."
---
# Pymatgen - Python Materials Genomics
## Overview
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 Mater
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