ramv2 / magpie_python

Python version of magpie attribute generators.

Python version of Magpie attribute generators

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Magpie is an open-source software written in java for applying machine learning to predict properties of materials. It is being developed and maintained as part of the Open Quantum Materials Database (OQMD) at the Wolverton group in Northwestern University. Since a python version of it was useful for my research, I decided to convert all the attribute generator classes and related helper classes from java. I think this could be a useful tool for materials researchers as it provides easier access to the plethora of machine learning libraries written in python.

The latest version of Magpie can be found here: https://bitbucket.org/wolverton/magpie.

Magpie citation: L. Ward, A. Agrawal, A. Choudhary, and C. Wolverton, "A general-purpose machine learning framework for predicting properties of inorganic materials," npj Computational Materials, vol. 2, no. 1, Aug. 2016.