Nesso-1: Accelerating Open-Source Binding Affinity Predictions
Nikhil Shenoy, David Errington, Emmanuel Bengio, Kacper Kapusniak, Kerstin Kläser, Yui Tik Pang, Vladimir Radenkovic, Prudencio Tossou, Thérence Bois, Andrew J. Wedlake, Francesco Di Giovanni
Nesso-1 is an open-source binding affinity prediction tool that is significantly faster than Boltz-2 while maintaining or improving accuracy on both in-distribution and out-of-distribution data.
bioRxiv · Aug 3, 2026 · PreprintMolecular Biology