Author: Shengli Jiang

Uncertainty quantification for molecular assets predictions with graph neural structure seek

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00088A, PaperShengli Jiang, Shiyi Qin, Reid C. Van Lehn, Prasanna Balaprakash, Victor M. ZavalaAutoGNNUQ employs neural architecture search to enhance uncertainty quantification for molecular property prediction via graph neural networks.To cite this article before page numbers are assigned, use the