Data Science & Analytics

Pymatgen

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

Publisher / source
benchflow-ai/skillsbench (found on GitHub top repositories)
Upstream record
benchflow-ai/skillsbench
Version
Version 1
Published
Publication review
Approved for publication
Content fingerprint
eeb3616b03e293072332847795e055413becfa42d74dfaeb48ac6aa90e21654f