hackingmaterials / automatminer

An automatic engine for predicting materials properties.
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machine-learning material-properties pipeline prediction
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automatminer is an automatic prediction engine for materials properties.

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If you're interested in the benchmarking datasets, see our dedicated package Matbench:

You may also be interested in the parent code of automatminer, matminer:

If you find automatminer or Matbench useful. useful, please consider citing our paper:

Dunn, A., Wang, Q., Ganose, A., Dopp, D., Jain, A. Benchmarking Materials Property
Prediction Methods: The Matbench Test Set and Automatminer Reference Algorithm. npj 
Computational Materials 6, 138 (2020). https://doi.org/10.1038/s41524-020-00406-3

automatminer is pip installable. Please use versions 1.0.0 forward.