most citedEnd-to-end AI framework for interpretable prediction of molecular and crystal properties

9 citations · 9 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2022★ 9 cited

End-to-end AI framework for interpretable prediction of molecular and crystal properties

Hyun Park, Ruijie Zhu, E. A. Huerta +3

We introduce an end-to-end computational framework that allows for hyperparameter optimization using the DeepHyper library, accelerated model training, and interpretable AI inferen…