Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis.
Official homepage: www.pymatgen.org
Pymatgen is available via the module system on Tetralith and Sigma. For more information about available versions, please see the Tetralith and Sigma Software list.
ml pymatgen/2019.5.28-Python-3.6.3-nsc1
Guides, documentation and FAQ.
Applying for projects and login accounts.