EspalomaCharge: Machine learning-enabled ultra-fast partial charge assignment. - Yuanqing Wang; Iván Pulido; Kenichiro Takaba; Benjamin Kaminow; Jenke Scheen; Lily Wang; John D. Chodera (CoRR, 2023)

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)