3D molecule generation by denoising voxel grids. - Pedro O. Pinheiro; Joshua Rackers; Joseph Kleinhenz; Michael Maser; Omar Mahmood; Andrew M. Watkins; Stephen Ra; Vishnu Sresht; Saeed Saremi (NeurIPS, 2023)

Protein Discovery with Discrete Walk-Jump Sampling. - Nathan C. Frey; Daniel Berenberg; Karina Zadorozhny; Joseph Kleinhenz; Julien Lafrance-Vanasse; Isidro Hötzel; Yan Wu 027; Stephen Ra; Richard Bonneau; Kyunghyun Cho; Andreas Loukas; Vladimir Gligorijevic; et al. (ICLR, 2024)

JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling. - Ameya Daigavane; Bodhi P. Vani; Saeed Saremi; Joseph Kleinhenz; Joshua Rackers (CoRR, 2024)

Concept Bottleneck Language Models For protein design. - Aya Abdelsalam Ismail; Tuomas P. Oikarinen; Amy Wang; Julius Adebayo; Samuel Stanton; Taylor Joren; Joseph Kleinhenz; Allen Goodman; Héctor Corrada Bravo; Kyunghyun Cho; Nathan C. Frey (CoRR, 2024)