Faculty position doing AI for materials discovery! Come join us at the U of T Materials Eng University of Toronto jobs.utoronto.ca/job/Toronto-As… Plenty of exciting opportunities in the GTA and with Acceleration Consortium (AC) and Vector Institute in particular! Please share and retweet!

Happy New Year! We’re excited to share a new blog post summarizing interesting discussions and trends about #AI4Science in 2024! medium.com/@AI_for_Scienc…

🚀 DeepSeek-R1 is here! ⚡ Performance on par with OpenAI-o1 📖 Fully open-source model & technical report 🏆 MIT licensed: Distill & commercialize freely! 🌐 Website & API are live now! Try DeepThink at chat.deepseek.com today! 🐋 1/n

Some news: I'm joining the founding team at Achira! We are building physics into AI to shape the future of drug discovery. If you're interested or just want to know more, hit me up! endpts.com/achira-raises-…

Reasoning models lack atomic thought ⚛️ Unlike humans using independent units, they store full histories🤔 Introducing Atom of Thoughts (AOT): lifts gpt-4o-mini to 80.6% F1 on HotpotQA, surpassing o3-mini and DeepSeek-R1 ! The best part? It's plugs in for ANY framework 🔌 1/5

LLMs are pretty bad at writing molecules, but quite good at analyzing mols and reactions! In our new work we use LLMs+search in chemical tasks, unlocking steerable synth. planning and mechanism prediction 🌟 1/ Theo Neukomm Daniel Armstrong Zlatko Jončev Philippe Schwaller (he/him) arxiv.org/abs/2503.08537

Join us at #ACS for the first generative modeling symposium we organized. Feel free to DM for chat/coffee.

Saw the #o1pro api pricing - shocked. It is Hermes in LLM. We are planning a large-scale multi institution benchmark on llm for scientific discovery. OpenAI is your strategy to make it expensive enough so that no one can afford benchmarking it?

Join us at the #ACSSpring2025 symposium with Wenhao Gao , Chenru Duan , Peichen Zhong and Connor W. Coley and great speakers exploring generative modeling for molecular science! ⏰ March 26-27, 2025 📍 Ballroom 6C (San Diego Convention Center) Agenda 👉 acs.digitellinc.com/live/34/sessio…

Scientific Knowledge Emerges in LLMs and YOU CAN Access It (via sampling)! 🔥🔥🔥New blog to summarize what we have learned from evaluating LLMs for several optimization, decision-making, and planning problems in science with truly impressive performances!

Thanks Victoria for featuring our React-OT work in Chemistry World, "AI predicts transition states with exceptional precision"(chemistryworld.com/news/ai-predic…)

[1/9]🚀Excited to share our new work, RNE! A plug-and-play framework for everything about diffusion model density and control: density estimation, inference-time control & scaling, energy regularisation. More details👇 Joint work with Jose Miguel Hernández-Lobato Yuanqi Du, Francisco Vargas

Who said #chemistry has revealed all its secrets? Just when we thought we knew everything about good old nitrogen, scientists report a new and fascinating allotrope in nature. nature.com/articles/s4158…

🎉 We’re thrilled to announce that Deep Principle has been selected as a 2025 World Economic Forum Technology Pioneer! 🌍 Each year, the WEF recognizes early-stage companies poised to make a significant impact on business and society. We’re proud to be recognized alongside

🆕 LLM-EO Deep Principle now hot off the press in J. Am. Chem. Soc.! 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)