RFdiffusion3 paper in Science details atom-level protein design that works in the lab
An international team from the University of Washington, the University of Oxford and Nvidia published the full design of RFdiffusion3, a generative AI system that designs proteins and nucleic acids at the single-atom level, in Science on the 16th local time; the team had open-sourced the system on December 3, 2025. RFdiffusion3 draws on the AlphaFold3 network architecture, represents each amino acid with up to 14 atoms and designs structures by directly adjusting atomic 3D coordinates, generating proteins that satisfy constraints such as specified reactive-atom positions, hydrogen-bond conditions and allowed atomic distributions. Per IT之家, RFdiffusion3 outperformed RFdiffusion2 at 37 of 41 enzyme active-site comparisons and generated structures about ten times faster, while its designed paraoxonase and peptide-cleaving enzymes completed the intended reactions in real experiments. The study's corresponding author is University of Washington professor David Baker, a 2024 Nobel chemistry laureate.
The work marks a step from predicting existing protein structures to designing new ones for a target function, with designs validated in real chemical reactions.
IT之家 10 月 19 日消息,可按单个原子组合来设计蛋白质与核酸的生成式人工智能系统 RFdiffusion3,其详细设计方案现已正式对外公布。借助 RFdiffusion3 全新设计出的蛋白质,能够在真实化学反应中实现预期功能。

由美国华盛顿大学、英国牛津大学、英伟达等机构组成的国际联合研究团队,搭建出了这套可对单个原子进行建模,用于设计蛋白质与核酸的系统,并于当地时间 16 日在国际期刊《科学》上发表了相关研究成果。
IT之家注意到,该研究团队已于 2025 年 12 月 3 日开源 RFdiffusion3。刊登在《科学》上的论文详细阐释了 RFdiffusion3 的设计原理。
基于人工智能的蛋白质研究,已经从预测已有蛋白质的三维结构,进一步发展为设计具备目标结构与功能的全新蛋白质。
#RFdiffusion3#RFdiffusion2#AlphaFold3#RosettaFold#University of Washington#University of Oxford#Nvidia#David Baker#Science