PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments and Partial Charges
Unke, Oliver Thorsten, Meuwly, MarkusJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00181
Date:
May, 2019
File:
PDF, 4.01 MB
2019