NVIDIA Open-Sources nvDock, an All-Atom Diffusion Model for Protein Pocket Docking

NVIDIA BioNeMo·medium signal

nvDock landed on July 8, 2026 under the NVIDIA-BioNeMo GitHub org — a diffusion-based model for molecular pocket docking where the protein binding pocket is known in advance. The all-atom variant models the full atomic structure of the pocket, capturing finer protein–ligand interactions and improving accuracy in complex binding environments. BioNeMo releases ship the full training codebase, pre-trained weights, and the accompanying paper under a genuinely open license, which is the differentiator against most structural-biology model releases.