Chenru Duan
@chenru_duan
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Founder& CTO @DeepPrinciple; ex-Microsoft | Ph.D. @KulikGroup @MITChemistry | #AI4Science workshop organizer.
Cambridge, MA
Joined March 2019
New paper alert: React-OT: Optimal Transport for Generating Transition State in Chemical Reactions (. React-OT formulates TS search as a transport problem, approaching chemical accuracy while taking only 0.5 seconds in inference on a single GPU. #compchem
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If you have ideas fallen under the scope of iterative scienitific discovery, let me know!.
🚀🔬 Introducing SDE-Harness: The Scientific Discovery Evaluation Framework.A discovery-first, open-source toolkit built to accelerate LLM-driven scientific research and amplify discovery. Why SDE-Harness?.Scientific discovery is an iterative process to search for hypotheses
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🆕 LLM-EO @DeepPrinciple now hot off the press in @J_A_C_S! We marry Large Language Models with evolutionary optimization, LLM-EO, for hands-free design of transition-metal complexes. Why it matters.• Sample-efficient: just 200 evaluations net 8 / 20 global top-scoring Pd(II)
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RT @DeepPrinciple: 🎉 We’re thrilled to announce that Deep Principle has been selected as a 2025 World Economic Forum Technology Pioneer!….
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RT @javiergarciamar: Who said #chemistry has revealed all its secrets? .Just when we thought we knew everything about good old nitrogen, sc….
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RT @JiajunHe614: [1/9]🚀Excited to share our new work, RNE! A plug-and-play framework for everything about diffusion model density and contr….
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Thanks Victoria for featuring our React-OT work in Chemistry World, "AI predicts transition states with exceptional precision"(.
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Our React-OT paper is finally (after exactly one year) out in @NatMachIntell with full open access (. Great to be featured as the cover for the April issue and by MIT news. Thanks all co-authors for making it happen, especially @guanhorng_liu, @YuanqiD,.
New paper alert: React-OT: Optimal Transport for Generating Transition State in Chemical Reactions (. React-OT formulates TS search as a transport problem, approaching chemical accuracy while taking only 0.5 seconds in inference on a single GPU. #compchem
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RT @YuanqiD: Scientific Knowledge Emerges in LLMs and YOU CAN Access It (via sampling)! . 🔥🔥🔥New blog to summarize what we have learned fro….
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RT @ZhuoranQ: Join us at the #ACSSpring2025 symposium with @WenhaoGao1 , @chenru_duan , @zhongpc and @cwcoley and great speakers exploring….
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Join us at #ACS for the first generative modeling symposium we organized. Feel free to DM for chat/coffee.
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RT @drecmb: LLMs are pretty bad at writing molecules, but quite good at analyzing mols and reactions!.In our new work we use LLMs+search in….
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RT @didiforx: Reasoning models lack atomic thought ⚛️. Unlike humans using independent units, they store full histories🤔. Introducing Atom….
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RT @JoshRackers: Some news: I'm joining the founding team at Achira! We are building physics into AI to shape the future of drug discovery.….
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RT @deepseek_ai: 🚀 DeepSeek-R1 is here!. ⚡ Performance on par with OpenAI-o1.📖 Fully open-source model & technical report.🏆 MIT licensed: D….
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RT @ProfvLilienfeld: Faculty position doing AI for materials discovery! Come join us at the @uoftmse @UofT Plenty….
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