MatBench

Tools for assessing the ability of machine learning models to predict materials properties, similar to ML community standards like ImageNet

MatBench

With Alex Dunn of Anubhav Jain's group. Data stored at a dedicated MPContribs site here: https://ml.materialsproject.org

MatBench Discovery

With Janosh Riebesell of Alpha Lee's and Kristin Persson's groups: https://matbench-discovery.materialsproject.org/

Citations:

[1] A. Dunn, Q. Wang, A. Ganose, D. Dopp, and A. Jain, npj Computational Materials 6 (2020), 10.1038/s41524- 020-00406-3

[2] J. Riebesell, R. E. A. Goodall, P. Benner, Y. Chiang, B. Deng, G. Ceder, M. Asta, A. A. Lee, A. Jain, and K. A. Persson, Nature Machine Intelligence 7, 836–847 (2025). DOI: 10.1038/s42256-025-01055-1/