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Matbench: Benchmarks for materials science property prediction

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matbench is an ImageNet for materials science; a set of 13 (with more to come!) curated machine learning tasks for benchmarking and performance testing.

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example workflow PyPI version

If you find matbench 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

Matbench is pip installable! Install with pip install matbench or see the installation page for more details.

Python versions 3.8+ are supported.

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