recursionpharma/nesso

Determining how strongly a small molecule binds a target is a major task in drug discovery. But it's also expensive and slow Nesso-1, a new open-source model, was recently released on @huggingface.…

Boltz-2のような全原子レベルcofoldingは高精度だが計算コストが高くまた親和性予測に重原子レベルの詳細が本当に必要かが未解決でした。Recursion Pharmaceuticalsから構造のcoarse-grained representationで親和性を予測するNesso-1が提案され速度と精度の両立が検証されました ソースはリプ🔽

Recursion releases better, faster open source co-folding-based binding affinity model

By open-sourcing the model, we hope to catalyze innovation across the drug discovery community and, ultimately, help bring new therapies to patients faster. While zero-shot generalization remains…