A toolkit for storing crystal structure data, automating density-functional calculations, handling computational resources and performing thermodynamic analysis. qmpy is used to run and maintain the Open Quantum Materials Database (oqmd.org).
Install qmpy with pip:
pip install qmpy
For more complete documentation, see: http://oqmd.org/static/docs/index.html