Forecasting labels under distribution-shift for machine-guided sequence design. - Lauren Berk Wheelock; Stephen Malina; Jeffrey Gerold; Sam Sinai (MLCB, 2022)

Deep mendelian randomization: Investigating the causal knowledge of genomic deep learning models. - Stephen Malina; Daniel Cizin; David A. Knowles (PLoS Comput. Biol., 2022)

Beyond the training set: an intuitive method for detecting distribution shift in model-based optimization. - Farhan Damani; David H. Brookes; Theodore Sternlieb; Cameron Webster; Stephen Malina; Rishi Jajoo; Kathy Lin; Sam Sinai (CoRR, 2023)

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)