pymatgen

Name: pymatgen
Author: K-Dense-AI

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

pymatgen

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---
name: pymatgen
description: Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
license: MIT license
metadata:
    skill-author: K-Dense Inc.
---

# 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 molecul

How to Use

Recommended: Install to project (local)

mkdir -p .claude/skills
curl -o .claude/skills/pymatgen.md \
  https://raw.githubusercontent.com/K-Dense-AI/claude-scientific-skills/main/scientific-skills/pymatgen/SKILL.md

Skill is scoped to this project only. Add .claude/skills/ to your .gitignoreif you don't want to commit it.

Alternative: Clone full repo

git clone https://github.com/K-Dense-AI/claude-scientific-skills

Then reference at scientific-skills/pymatgen/SKILL.md