Thrilled to announce that the first paper from Flemming's PhD was accepted as Poster for NeurIPS2025! In this paper we adapt the HollowNet idea from Chen and Duvenaud to equivariant MP networks, to get cheap sample likelihoods for flow-based Boltzmann Generators. Preprint/code coming soon.

P.S. We're opening 2 PhD positions very soon! If you're into AI for molecules and thinking about a PhD in drug and/or materials design, stay tuned @ ailab.bio 👀

Had a great team workshop yesterday at Chalmers. A full day of getting to know each other better, discussing research, and brainstorming. I'm really proud of the team, the passion and supportive energy they bring, and the environment we've built together over the last couple years!

I’ll be at AISTATS presenting our work on designing efficient and scalable equivariant models for 3D molecular generation. You can find me at poster session 2, no 132. Also very happy to meet up during the conference!

Join us in Gothenburg for the 3rd CHAIR Structured Learning Workshop! Very exciting line-up of speakers and we expect lots of engaging discussions, too. Attendance is free but you need to apply as we have limited slots.

Registration for this years CHAIR Structured Learning Workshop is open. Speakers include: Klaus Robert Müller, Jens Sjölund, @alextong.bsky.social , @janstuehmer.bsky.social, @arnauddoucet.bsky.social, @marcocuturi.bsky.social , Marta Betcke, Elena Agliari, Beatriz Seoane, Alessandro Ingrosso

Excited to present our poster on Boltzmann priors for Implicit Transfer Operators tomorrow at @iclr-conf.bsky.social! See you tomorrow at poster 13, 10-12:30.

Check out cool new work from our group in collaboration with Pfizer and AstraZeneca, lead by Julian Cremer and Ross Irwin on FLOWR, a flow-based ligand generation approach, and highly sanitized benchmark dataset, SPINDR, for the SBDD community!

Check out RetroSynFormer, a Decision Transformer model for multi-step retrosynthesis planning. Developed with an industrial PhD student in my team, Emma Granqvist, and her AstraZeneca co-supervisor Samuel Genheden, RetroSynFormer reframes retrosynthesis as a sequence modeling task. (1/2)

Industry PhD opportunity: together with AstraZeneca, we’re recruiting an industial PhD student in data-driven life sciences to join us here in Gothenburg, SE! Deadline to apply April 24. More info in ad: www.scilifelab.se/career/indus...

The Chalmers AI4Science speakers for the spring term have just been announced please check the homepage for all the details: psolsson.github.io/AI4ScienceSe...

1/1 Papers accepted at ICLR2025 Congrats @viguera10.bsky.social and 1/1 papers accepted at AISTATS2025 congrats @rossirwin.bsky.social

Come join us on an exciting joint PhD project on ML for protein function with @kailalab.bsky.social -- We are looking for a strong quantitative candidate with prior experience in ML. The position is based in Gothenburg and is fully funded for 5 years. www.chalmers.se/en/about-cha...

Impressive work by @franknoe.bsky.social and team! A pragmatic tour-de-force combining experimental and predicted protein structures, MD simulations and experimental stability data to sample conformational ensembles of proteins. Think AlphaFold, but capturing multiple free energy minima.