BiophysicsbioRxivPreprint
Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1
David L. Mobley, Caitlin C. Bannan, Andrea Rizzi…·Peter K. Eastman
The paper introduces a new approach to molecular mechanics force fields using direct chemical perception, reducing parameter count while maintaining accuracy.
DOI 10.1101/286542