Agent Skills: pymatgen

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

UncategorizedID: benchflow-ai/skillsbench/pymatgen

Repository

benchflow-aiLicense: Apache-2.0
1,819369

Install this agent skill to your local

pnpm dlx add-skill https://github.com/benchflow-ai/skillsbench/pymatgen

Skill Files

Browse the full folder contents for pymatgen.

Download Skill

Loading file tree…

Select a file to preview its contents.