Updated 9 months ago
https://github.com/sparks-baird/mat_discover
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
adaptive-design
bayesian-optimization
crabnet
earth-mover-distance
earth-movers-distance
machine-learning
matdiscover
materials-discoveries
materials-discovery
materials-informatics
materials-project
materials-science
materials-screening
numba
predict-materials-properties
python
pytorch
wasserstein
wasserstein-distance
wasserstein-metric
Updated 9 months ago
https://github.com/sparks-baird/mp-time-split
Use time-splits for Materials Project entries for generative modeling benchmarking.