Statements (29)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
|
| gptkbp:abbreviation |
gptkb:pymatgen
|
| gptkbp:application |
materials science
|
| gptkbp:citation |
https://doi.org/10.1016/j.commatsci.2012.10.028
|
| gptkbp:developer |
gptkb:Shyue_Ping_Ong
gptkb:Materials_Project |
| gptkbp:documentation |
https://pymatgen.org
|
| gptkbp:feature |
structure analysis
crystal symmetry analysis electronic structure analysis generation of phase diagrams input/output for materials formats integration with Materials Project materials manipulation support for VASP, Gaussian, and other codes |
| gptkbp:firstReleased |
2011
|
| https://www.w3.org/2000/01/rdf-schema#label |
Python Materials Genomics
|
| gptkbp:license |
gptkb:MIT_License
|
| gptkbp:programmingLanguage |
gptkb:Python
|
| gptkbp:relatedTo |
gptkb:ASE
gptkb:matminer gptkb:Materials_Project Atomic Simulation Environment |
| gptkbp:repository |
https://github.com/materialsproject/pymatgen
|
| gptkbp:usedBy |
materials scientists
computational chemists condensed matter physicists |
| gptkbp:bfsParent |
gptkb:pymatgen
|
| gptkbp:bfsLayer |
8
|