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Machine Learning, {Org, Med, Comp} Chem, RL/Planning, AI-assisted Scientific Discovery & Creativity, Music. ELLIS Scholar. Team Lead at Microsoft Research AI for Science. 2xDad
Marwin Segler
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We show that our tuned LM can outperform frontier models (incl. retrieval) on the task, and retains high steerability via prompting. arxiv.org/abs/2512.13668 - work lead by the legendary @guoqingliu.bsky.social ! @maziarz.bsky.social @msftresearch.bsky.social
ELLIS ML4Molecules Workshop 2025: Registration for virtual participation now open!!! Only 500 tickets available which usually are gone fast!! Register now: www.eventbrite.com/e/ellis-mach...
Are you a PhD student interested in ML and biology or health? Come do an internship with me, @avapamini.bsky.social, Alex Lu, @lcrawford.bsky.social, or Kristen Severson at MSRNE! Applications are due Dec 1: make sure you include a research statement! jobs.careers.microsoft.com/global/en/jo...
Save the date! Next year's European #RDKit UGM will take place from 16-18 September in Darmstadt, Germany. Pre-registration will open in early 2026.
Ever wanted to run MD simulations of entire proteins in water with DFT accuracy? Meet AMPv3-BMS25, the latest iteration of our AMP multiscale neural network potential by @rinikerlab.bsky.social Read more in the preprints: doi.org/10.26434/che... doi.org/10.26434/che...
Do you want to invent the future of Chemistry with us? We‘re looking for a "Digital Native” Organic Chemist to join our team at Microsoft Research AI for Science. We offer an amazing environment where you can do deep research with passionate and talented colleagues to solve problems that matter! 1/2
Do you want to invent the future of Chemistry with us? We‘re looking for a "Digital Native” Organic Chemist to join our team at Microsoft Research AI for Science. We offer an amazing environment where you can do deep research with passionate and talented colleagues to solve problems that matter! 1/2
Language Models bring new capabilities to Chemistry, especially when dealing with both structures and rich natural language, ie in synthesis. For this, we now report our new Reasoning model for Synthesis Procedure generation, with dedicated SFT on COT and RLVR for the task. 1/2