Interpretable Neuroevolutionary Models for Learning Non-Differentiable Functions and Programs. - Allan dos Santos Costa; Rumen Dangovski; Samuel Kim; Pawan Goyal 004; Marin Soljacic; Joseph Jacobson (CoRR, 2020)

Ophiuchus: Scalable Modeling of Protein Structures through Hierarchical Coarse-graining SO(3)-Equivariant Autoencoders. - Allan dos Santos Costa; Ilan Mitnikov; Mario Geiger; Manvitha Ponnapati; Tess E. Smidt; Joseph Jacobson (CoRR, 2023)

EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants. - Allan dos Santos Costa; Ilan Mitnikov; Franco Pellegrini; Ameya Daigavane; Mario Geiger; Zhonglin Cao; Karsten Kreis; Tess E. Smidt; Emine Küçükbenli; Joseph Jacobson (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)

RiboGen: RNA Sequence and Structure Co-Generation with Equivariant MultiFlow. - Dana Rubin; Allan dos Santos Costa; Manvitha Ponnapati; Joseph Jacobson (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)