pymatgen

github:mcox3406/claude-comp-chem-skills · first seen 2026-10-31 · source · badge

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

Skill Health: not yet scored

Listed, not yet scored. This skill has no public model test yet. It is in the scoring queue; submitted skills go first, then the most-installed.

Version history