qmpy is the backend responsible for creating and running the Open Quantum Materials Database (http://oqmd.org). The OQMD is a project created in Chris Wolverton’s group at Northwestern University (http://wolverton.northwestern.edu).


  • Facilitates direct access to a database of over 250,000 DFT calculations
  • Powerful and flexible tools for generating phase diagrams
  • Methods for automating VASP calculations (job submission, collection and error handling)

Getting Started

Install qmpy with pip or easy install:

pip install qmpy


easy_install -U qmpy

You can also install from source. For mmore on that see Installation.


If you are having issues, please let us know. We can be reached at oqmd.contact@gmail.com.


The project is licensed under the MIT license.

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