Princeton's ChefNMR2 pairs atomic generative models with LLM agents to elucidate small-molecule structures from NMR
ZhongingAlong · x · 2026-11-03
Princeton's Ellen Zhong lab released a preprint on ChefNMR2, aiming to discover unknown small molecules with generative AI and scientific agents.
- Approach: combines an advanced atomic generative model with an LLM agent for small-molecule structure elucidation directly from NMR spectra.
- Team: led by Ziyu Xiong at Princeton, with collaborators including Andrew D. White and Samuel G. Rodriques (Edison Scientific).
- Preprint on bioRxiv, with a project page and demo available.
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