anthony-wang / CrabNet Star 84 Code Issues Pull requests Discussions Predict materials properties using only the composition information! machine-learning scikit-learn pytorch transformer neural-networks attention materials-science materials-informatics attention-mechanism materials-screening self-attention predict-materials-properties Updated Apr 23, 2023 Python
sparks-baird / mat_discover Star 35 Code Issues Pull requests Discussions A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces. python machine-learning pytorch materials-science materials-informatics numba bayesian-optimization wasserstein earth-movers-distance materials-screening materials-discoveries adaptive-design wasserstein-metric earth-mover-distance wasserstein-distance crabnet predict-materials-properties materials-discovery materials-project matdiscover Updated Nov 6, 2023 Python
sparks-baird / CrabNet Star 12 Code Issues Pull requests Discussions Predict materials properties using only the composition information! python machine-learning pytorch materials-science materials-informatics attention-mechanism attention-is-all-you-need materials-screening self-attention materials-genome predict-materials-properties materials-discovery Updated Jun 19, 2023 HTML