Rapid prediction of full spin systems using uncertainty-aware machine learning

Chem. Sci., 2023, 14,10902-10913
DOI: 10.1039/D3SC01930F, Edge Article
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jake Williams, Eric Jonas
FullSSPrUCe is an uncertainty-aware deep learning system which predicts all spin system parameters from 2D structures through rapid estimates of conformational geometries.
The content of this RSS Feed (c) The Royal Society of Chemistry
Posted in Uncategorised