home/categories/computational-chemistry/davila7-claude-code-templates-cli-tool-components-skills-scientific-pymatgen-skill-md
computational-chemistryresearch

pymatgen

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

davila7
maintainer
davila7
Actualizado 1/20/2026
Estrellas
17577
Forks
1576
quick start

Installation and usage

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

Instalación
$ install --globalskills.sh
Uso

Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:

skills use pymatgen