ChemistryAtlas Code
PytLab/VASPy
Materials and crystal chemistryGitHubsource codecatalysis-informaticschemistrycomputational-chemistrydata-processingdata-visualizationvasp
Manipulating VASP files with Python.
Why it is useful: Materials and crystal chemistry repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 300 stars, 96 forks, primary language: Python.
Homepage: https://pypi.python.org/pypi/vaspy/
Citation: GitHub repository: PytLab/VASPy