Its always nice to meet old (and a lot of new!) friends! Last week I talked at @dcl-ethz.bsky.social for their Data+ML lunch about our latest research (arxiv.org/abs/2503.08537) Thank you so much @spschmid.bsky.social and @valencekjell.com for the invitation, first time for me at @ethz.ch 🤩

Its always nice to meet old (and a lot of new!) friends! Last week I talked at @dcl-ethz.bsky.social for their Data+ML lunch about our latest research (arxiv.org/abs/2503.08537) Thank you so much @spschmid.bsky.social and @valencekjell.com for the invitation, first time for me at @ethz.ch 🤩

New preprint from the Schwaller group! We investigate the chemical reasoning of LLMs on synthesis routes (up to 26 steps) and reaction mechanisms. Claude 3.7 performs impressively well. - LLMs for direct outcome prediction ❌ - Search algorithms + LLMs 🤩 Congrats to the team! 🙌 #chemsky ⬇️

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 🌟 Chehck out the paper 👉 arxiv.org/abs/2503.08537 1/8

Exciting news! 🔥🤩 The second LLM Hackathon for Applications in Materials Science and Chemistry has resulted in a preprint! 🔥🚀 Check out the paper here arxiv.org/abs/2411.15221 and a short version of all the projects in this Twitter thread twitter.com/BenBlaiszik/... #AI #AI4Materials #AI4Chem

We are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky

For those of you looking for a big helping of LLMs for Thanksgiving, here you go! 🤖🦃 📝 arxiv.org/abs/2411.15221 We release 34 examples demonstrating applications of LLMs in materials science and chemistry across: 🔶molecular and material property prediction; 🔷molecular and material design; ...