🚀 A better, faster co-folding-based binding affinity model. Predicting how tightly a drug candidate binds to its target is critical in drug discovery. It also requires massive computational resources. State-of-the-art models can take 20 seconds to a minute per prediction, impractical for the demands of large scale early-stage programs... . 💠 Today, Recursion’s Valence Labs is releasing Nesso-1: the fastest open-source co-folding-based binding affinity model available. At 1 second per prediction, it’s roughly 20x faster than our previous collaboration on Boltz-2 while matching or surpassing its accuracy across public and internal benchmarks. By leveraging NVIDIA Healthcare cuEquivariance, we’ve been able to further accelerate both training and inference by an additional 2-3x. We look forward to continuing to improve Nesso-1 in collaboration with NVIDIA. Weights and code are fully open-sourced. The core architectural ideas behind Nesso-1 build on the insight that coarse-grained co-folding representations can match full-atom models for affinity prediction at a fraction of the cost. Nesso-1 is the first open implementation of this approach with no proprietary dependencies, trained entirely on public data, built to be reproducible and extensible. We’re already using Nesso-1 internally in active drug discovery programs. Fast, reliable affinity prediction at scale is foundational to the kind of autonomous design loops that define our vision for Autonomous Precision Design and Nesso-1 is a meaningful step toward that. 👉 Report: 👉 Github: 👉 HF:show more

Recursion

17,373 subscribers

Paylaş İndir