pymatgen
k-dense-ai1.7k installs
Materials analysis with a traceable history.
What it does
Analyzes and converts materials structures and computed data with pymatgen while preserving validation results, parameters, and provenance.
When to use it
Use for local phase diagrams, symmetry sensitivity, electronic-structure file handling, and bounded Materials Project queries.
How to use it
Give it materials structures or computed data and an analysis or conversion request; it produces reports and new artifacts with provenance.
What you provide
- Your files
Uses
MP
Good to know
- advertises something the task does not need
Latest review
What you need · 6
Requires Python 3.11 or newer.
Uses uv to create and synchronize the pinned scientific environment.
Access · 3
This skill
Materials Project
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Queries Materials Project
arXiv
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