A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

adaptive-design adaptive-learning bayesian-optimization bulk-modulus chemical-distance chemical-formula chemical-uniqueness chemistry-design clustering composition composition-based-feature-vector crabnet densmap design-of-experiments dimensionality-reduction discover earth-movers-distance element-movers-distance elm2d elmd experimental-design fractional-prevalence hdbscan iterative-design machine-learning matdiscover mat-discover mat-discover-github materials-discovery materials-informatics materials-project materials-science materials-screening novel-materials predict-materials-properties pychemia sequential-learning sterling-baird suggest-next-experiment taylor-sparks umap university-of-utah wasserstein