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predict-materials-properties

Here are 3 public repositories matching this topic...

anthony-wang / CrabNet

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

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 Aug 20, 2024
Python

sparks-baird / CrabNet

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 Sep 9, 2024
HTML

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