Espaloma-0.3.0: Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond. - Kenichiro Takaba; Iván Pulido; Mike Henry; Hugo MacDermott-Opeskin; John D. Chodera; Yuanqing Wang (CoRR, 2023)

SolvationAnalysis: A Python toolkit for understanding liquid solvation structure in classical molecular dynamics simulations. - Orion Archer Cohen; Hugo MacDermott-Opeskin; Lauren Lee; Tingzheng Hou; Kara D. Fong; Ryan Kingsbury; Jingyang Wang; Kristin A. Persson (J. Open Source Softw., 2023)