OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. - Peter K. Eastman; Raimondas Galvelis; Raúl P. Peláez; Charlles R. A. Abreu; Stephen E. Farr; Emilio Gallicchio; Anton Gorenko; Michael M. Henry; Frank Hu; Jing Huang 004; Andreas Krämer; Julien Michel; et al. (CoRR, 2023)

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials. - Francesc Sabanés Zariquiey; Stephen E. Farr; Stefan Doerr; Gianni De Fabritiis (J. Chem. Inf. Model., 2025)