20230723_figshare_DIRECT.zip

All data required to reproduce the DIRECT sampling results in the manuscript "Robust Training of Machine Learning Interatomic Potentials with Dimensionality Reduction and Stratified Sampling".
It contains training, validation and test data for M3GNet-MS and M3GNet-DIRECT UPs, training and test data for MTP-AL and MTP-DIRECT for Ti-H, as well as pre-processed M3GNet features of the 1.3 million structures in <em>MPF.2021.2.8.all</em> and the 274,000 M3GNet MD structures of Ti-H.