pymatgen

GPTKB entity

Statements (23)
Predicate Object
gptkbp:instanceOf gptkb:software
gptkbp:citation Ong, S. P., et al. (2013). Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis. Computational Materials Science, 68, 314-319.
gptkbp:developer gptkb:Materials_Virtual_Lab
gptkb:Shyue_Ping_Ong
gptkbp:documentation https://pymatgen.org
gptkbp:firstReleased 2011
gptkbp:fullName gptkb:Python_Materials_Genomics
https://www.w3.org/2000/01/rdf-schema#label pymatgen
gptkbp:latestReleaseVersion 2024.5.31
gptkbp:license gptkb:MIT_License
gptkbp:npmPackage gptkb:pymatgen
gptkbp:platform Cross-platform
gptkbp:programmingLanguage gptkb:Python
gptkbp:relatedTo gptkb:Materials_Project
gptkbp:repository https://github.com/materialsproject/pymatgen
gptkbp:usedFor materials informatics
electronic structure analysis
materials analysis
generation of input files for materials science codes
crystal structure manipulation
parsing output files from materials science codes
gptkbp:bfsParent gptkb:Materials_Project
gptkbp:bfsLayer 7