SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials. - Peter K. Eastman; Pavan Kumar Behara; David L. Dotson; Raimondas Galvelis; John E. Herr; Josh T. Horton; Yuezhi Mao; John D. Chodera; Benjamin P. Pritchard; Yuanqing Wang; Gianni De Fabritiis; Thomas E. Markland (CoRR, 2022)

Training machine learning potentials for reactive systems: A Colab tutorial on basic models. - Xiao-Liang Pan; Ryan Snyder; Jia-Ning Wang; Chance Lander; Carly Wickizer; Richard Van; Andrew Chesney; Yuanfei Xue; Yuezhi Mao; Ye Mei; Jingzhi Pu; Yihan Shao (J. Comput. Chem., 2024)