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anthony-wang
CrabNet anthony-wang
28
94
mit
8
Predict materials properties using only the composition information!
pytorch attention transformer scikit-learn self-attention neural-networks machine-learning materials-science attention-mechanism materials-screening materials-informatics predict-materials-properties
Created 2020-02-05
49 commits to master branch, last one about a year ago
sparks-baird
mat_discover sparks-baird
9
39
mit
1
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
numba python crabnet pytorch matdiscover wasserstein adaptive-design machine-learning materials-project materials-science wasserstein-metric materials-discovery materials-screening earth-mover-distance wasserstein-distance bayesian-optimization earth-movers-distance materials-discoveries materials-informatics predict-materials-properties
Created 2021-08-05
1,538 commits to main branch, last one 3 months ago