/matbench

Matbench: Benchmarks for materials science property prediction

Primary LanguagePythonMIT LicenseMIT

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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.

Tests Release
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.