Chenru Duan
@chenru_duan
Followers
959
Following
2K
Media
42
Statuses
484
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
9
25
132
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
0
0
5
🆕 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)
0
5
35
RT @DeepPrinciple: 🎉 We’re thrilled to announce that Deep Principle has been selected as a 2025 World Economic Forum Technology Pioneer!….
0
2
0
RT @javiergarciamar: Who said #chemistry has revealed all its secrets? .Just when we thought we knew everything about good old nitrogen, sc….
0
66
0
RT @JiajunHe614: [1/9]🚀Excited to share our new work, RNE! A plug-and-play framework for everything about diffusion model density and contr….
0
19
0
Thanks Victoria for featuring our React-OT work in Chemistry World, "AI predicts transition states with exceptional precision"(.
0
1
3
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
2
1
21
RT @YuanqiD: Scientific Knowledge Emerges in LLMs and YOU CAN Access It (via sampling)! . 🔥🔥🔥New blog to summarize what we have learned fro….
0
17
0
RT @ZhuoranQ: Join us at the #ACSSpring2025 symposium with @WenhaoGao1 , @chenru_duan , @zhongpc and @cwcoley and great speakers exploring….
0
1
0
Join us at #ACS for the first generative modeling symposium we organized. Feel free to DM for chat/coffee.
1
2
33
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….
0
17
0
RT @didiforx: Reasoning models lack atomic thought ⚛️. Unlike humans using independent units, they store full histories🤔. Introducing Atom….
0
417
0
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.….
0
14
0
RT @deepseek_ai: 🚀 DeepSeek-R1 is here!. ⚡ Performance on par with OpenAI-o1.📖 Fully open-source model & technical report.🏆 MIT licensed: D….
0
7K
0
RT @ProfvLilienfeld: Faculty position doing AI for materials discovery! Come join us at the @uoftmse @UofT Plenty….
0
18
0