Guided Multi-objective Generative AI to Enhance Structure-based Drug Design. - Amit Kadan; Kevin Ryczko; Adrian Roitberg; Takeshi Yamazaki (CoRR, 2024)

Open Materials Generation with Stochastic Interpolants. - Philipp Höllmer; Thomas Egg; Maya M. Martirossyan; Eric Fuemmeler; Amit Gupta; Zeren Shui; Pawan Prakash; Adrian Roitberg; Mingjie Liu; George Karypis; Mark K. Transtrum; Richard G. Hennig; et al. (CoRR, 2025)