Molecule Generation with Fragment Retrieval Augmentation. - Seul Lee; Karsten Kreis; Srimukh Prasad Veccham; Meng Liu 015; Danny Reidenbach; Saee Paliwal; Arash Vahdat; Weili Nie (NeurIPS, 2024)

BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery. - Peter St. John; Dejun Lin; Polina Binder; Malcolm Greaves; Vega Shah; John St. John; Adrian Lange; Patrick D. Hsu; Rajesh Illango; Arvind Ramanathan; Anima Anandkumar; David H. Brookes; et al. (CoRR, 2024)

GenMol: A Drug Discovery Generalist with Discrete Diffusion. - Seul Lee; Karsten Kreis; Srimukh Prasad Veccham; Meng Liu 015; Danny Reidenbach; Yuxing Peng 005; Saee Paliwal; Weili Nie; Arash Vahdat (CoRR, 2025)