Strategy To Discover Diverse Optimal Molecules in the Small Molecule Universe. - Chetan Rupakheti; Aaron Virshup; Weitao Yang; David N. Beratan (J. Chem. Inf. Model., 2015)

DMol: A Schedule-Driven Diffusion Model for Highly Efficient and Versatile Molecule Generation. - Peizhi Niu; Yu-Hsiang Wang; Vishal Rana; Chetan Rupakheti; Abhishek Pandey; Olgica Milenkovic (CoRR, 2025)