Improving Small Molecule Generation using Mutual Information Machine. - Danny Reidenbach; Micha Livne; Rajesh K. Ilango; Michelle Gill; Johnny Israeli (CoRR, 2022)

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)

General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design. - Yue Jian; Curtis Wu; Danny Reidenbach; Aditi S. Krishnapriyan (CoRR, 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)

Proteina: Scaling Flow-based Protein Structure Generative Models. - Tomas Geffner; Kieran Didi; Zuobai Zhang; Danny Reidenbach; Zhonglin Cao; Jason Yim; Mario Geiger; Christian Dallago; Emine Küçükbenli; Arash Vahdat; Karsten Kreis (ICLR, 2025)

CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation. - Danny Reidenbach; Aditi S. Krishnapriyan (J. Chem. Inf. Model., 2025)

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)

Applications of Modular Co-Design for De Novo 3D Molecule Generation. - Danny Reidenbach; Filipp Nikitin; Olexandr Isayev; Saee Paliwal (CoRR, 2025)

La-Proteina: Atomistic Protein Generation via Partially Latent Flow Matching. - Tomas Geffner; Kieran Didi; Zhonglin Cao; Danny Reidenbach; Zuobai Zhang; Christian Dallago; Emine Küçükbenli; Karsten Kreis; Arash Vahdat (CoRR, 2025)

Efficient Molecular Conformer Generation with SO(3)-Averaged Flow Matching and Reflow. - Zhonglin Cao; Mario Geiger; Allan dos Santos Costa; Danny Reidenbach; Karsten Kreis; Tomas Geffner; Franco Pellegrini; Guoqing Zhou; Emine Küçükbenli (CoRR, 2025)