[ASAP] Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.3c00289

Source: Journal of Chemical Theory and Computation - June 30, 2023 Category: Chemistry Authors: Yuyang Wang, Changwen Xu, Zijie Li, and Amir Barati Farimani Source Type: research