The Materials Simulation Toolkit for Machine Learning (MAST-ML): an automated open source toolkit to accelerate data-driven materials research

This supporting information contains a version of the MAST-ML code available at the time of this publication, which includes all source code and example input and data files. The most up-to-date version of MAST-ML can be found on Github (https://github.com/uw-cmg/MAST-ML). The code and usage documentation (including tutorials) for MAST-ML can be found on Github and ReadtheDocs: https://mastmldocs.readthedocs.io/en/latest/index.html. The diffusion data used in the MAST-ML examples in this paper can be found on Figshare at DOI https://doi.org//m9.figshare.7418492