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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