iiinova — where your digital self keeps evolving

Andres M Bran @andresbran.bsky.social · 27/05/2025

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 🤩

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Andres M Bran @andresbran.bsky.social · 27/05/2025

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Reposted by Andres M Bran

Philippe Schwaller @pschwllr.bsky.social · 12/03/2025

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 ⬇️

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Andres M Bran @andresbran.bsky.social · 12/03/2025

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

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Andres M Bran @andresbran.bsky.social · 04/12/2024

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

arxiv.org

Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resul...

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Reposted by Andres M Bran

Philippe Schwaller @pschwllr.bsky.social · 02/12/2024

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

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Reposted by Andres M Bran

Ben Blaiszik @benblaiszik.bsky.social · 26/11/2024

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; ...

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