MaterialsAtlas Code
pymatgen
materials-projectcrystal-structuresanalysispythonopen-source-code
Core Python Materials Genomics toolkit for structures, molecules, analysis, transformations, and electronic-structure workflows.
Citation: materialsproject/pymatgen. Open-source code repository. https://github.com/materialsproject/pymatgen
Acknowledgement: Curated by MaterialsAtlas Open Resources from public project metadata and maintainer repositories.