pymatgen by k-dense-ai

pymatgen

k-dense-ai

18.1k19973 months ago

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

>_
Quick Install
npxskills add k-dense-ai/claude-scientific-skills--skill pymatgen
Instructions

No instructions available

Tags & Topics
ai-scientistbioinformaticschemoinformaticsclaudeclaude-skillsclaudecode