Excited to share that our paper "LAGOM: A transformer-based chemical language model for drug metabolite prediction" has been accepted in AILSCI! doi.org/10.1016/j.ai... Work led by Sofia Larsson and Miranda Carlsson, with @rbeckmann.bsky.social and Filip Miljković‬ (AZ)! #compchem #chemsky

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.

#facultychemjobs weather report: continued downward trend Today (9/17/25), there are 156 tenure-track research/teaching positions and 16 teaching positions for the 2026 Chemistry Faculty Jobs List. 9/17/24: 245 tenure-track, 18 teaching 9/19/23: 265 tenure-track, 17 teaching

Congratulations to Dr. Denitsa Saynova who today successfully defended her thesis! It's been a pleasure working with you and supervising your PhD studies.

📣 PhD position now open for Oct 2026 start based at @imperialchemistry.bsky.social: tinyurl.com/PhDFDF. An interdisciplinary project combining experimental & computational materials discovery in a collaborative Royal Society-funded team. Co-supervised by @beckylgreenaway.bsky.social.

🚨 Our team is currently recruiting for multiple MSc projects for the spring term, mainly for Chalmers/GU students. Please spread the word and share with motivated students searching for a thesis project. You can read more about the projects and how to reach out on the team page: ailab.bio/join-us

New paper from our group out in JCTC! We introduce CYCLO70 — a benchmarking set of 70 challenging cycloaddition reactions (Diels–Alder, dipolar, sigmatropic). 👉 doi.org/10.1021/acs.... (1/6)

Tomorrow we're excited to host @sarahalamdari.bsky.social at Chalmers for the AI4Science seminar and hear about generative models for protein design! Talk at 3pm CEST. 🤩 For more info, including details on how to join virtually, please see psolsson.github.io/AI4ScienceSe... @smnlssn.bsky.social

14 faculty positions being recruited across Swedish universities as part of the WISE program, all with nice starting packages: wise-materials.org/external/fac...

Tonight I'm taking the train to Prague for the European edition of the 2025 #RDKit UGM. I'm really looking forward to meeting a bunch of the community there! We don't have space for any last-minute in-person registrations, but info on joining the live streams is here: github.com/rdkit/UGM_20...

JOB ALERT! 🚨MOLECULAR MACHINE LEARNING 2️⃣ fully funded PhD positions🚀🎓 are available in the @gloriusgroup.bsky.social associated with the German Priority Program @spp2363.bsky.social Your profile: - MSc in chemistry (knowledge of computational methods) or data science. - Passion for science. 🙏RT

🌟 Congrats to Assistant Prof. Camila Consiglio (@consigliocr.bsky.social) on being awarded a @erc.europa.eu Starting Grant! She will explore how the immune system shapes fertility and pregnancy outcomes in a new project: fertiliMMUNE. Read more: www.stemcellcenter.lu.se/article/erc-... #Immunology

I'm thrilled to share I’ve been awarded a @erc.europa.eu starting grant! #ERCStG #fertiliMMUNE will uncover how the immune and reproductive systems communicate, with the aim to improve fertility outcomes. I'm incredibly thankful to my amazing lab, collaborators, peers & ERC for their support!

new preprint, "adaptive allocation of Monte Carlo samples for efficient, multi-fidelity computational screening of metal-organic frameworks" feedback welcome! chemrxiv.org/engage/chemr...

Join us this fall for the Chalmers AI4Science seminar series with this amazing line-up of speakers! All seminars held on-campus at Chalmers and streamed over Zoom. See psolsson.github.io/AI4ScienceSe... for details! Speakers: @sarahalamdari.bsky.social @micheleceriotti.bsky.social & Prashant Singh

Want to work with me on cool stuff? #ukchemjobs #chembl #chemjobs

My collaborator Prashant Singh is recruiting a postdoc at Uppsala University to work on machine learning theory! www.uu.se/en/about-uu/... The postdoc will be connected to our TIMED NEST project, which you can learn more about here: wasp-sweden.org/nest-project... Apply and please share!!!

Welcome to Hannah Wayment-Steele, who joins the UW–Madison Department of Biochemistry this month as an assistant professor! Learn more about her research, interests, and lab: biochem.wisc.edu/2025/08/19/n...

Just 5 days left to submit your work to AI4Mat-NeurIPS-2025!!!! ⌛📃 Note that the deadline was extended (by 1 day) to August 23rd, 2025 (AOE).

Congrats to @benshi.bsky.social on this new work now out in Nature Chemistry! Beyond-DFT results without breaking the bank. 💪 www.nature.com/articles/s41...

Reproducible signals in #Alzheimers disease identified in landmark #proteomics study—from @neuroproteome.bsky.social in @natmed.nature.com 🧪 “In memory clinics, they could help pinpoint the underlying disease when symptoms are unclear” says Jacob Vogel ↓ www.scilifelab.se/news/buildin...

‼️Our first review is out‼️ Decoding sex differences in human immunity through systems immunology shorturl.at/EsAkE We discuss how #SystemsImmunology decodes #SexDifferences in #HumanImmunity, paving the way for tailored, sex-informed treatments. Excellent work by @resabut.bsky.social & Tianze Cao!

📄📄📄 The AI4Mat-NeurIPS-2025 workshop is now open for submissions until August 22, 2025 (AOE)! Consider submitting full-length papers or shorter-length findings. We also have a special track for papers on benchmarking AI for materials design. sites.google.com/view/ai4mat/...

I'm not at #acl2025, but my student Denitsa Saynova and our collaborators are there to present this paper: aclanthology.org/2025.finding...

Wow Karolinska Institutet is recruiting 20 outstanding early-career researchers for assistant professor positions ki.se/en/about-ki/...

Are you passionate about AI & molecular engineering? Just ‼️one‼️ week left to apply to the 2 PhD positions currently open in our team at Chalmers! 🎓 Apply to join us in here in lovely Gothenburg, Sweden 🇸🇪🤩 For details: ailab.bio/join-us

An update to Francisco, Nils, and @farzanejp.bsky.social's work on evaluating AF3 and Boltz-1 on the prediction of PROTAC-mediated ternary complexes is now available on the ChemRxiv! 📃 Paper: doi.org/10.26434/che... 🔗 Website: protacfold.xyz

Happy to share the AI for Accelerated Materials Design (AI4Mat) workshop was accepted at NeurIPS 2025, to be held Dec 6 or 7, 2025 in San Diego!!! 🥳🥳🥳 sites.google.com/view/ai4mat

Ever wanted an automatic way to split a PROTAC into its three key components: warhead, linker, and E3 recruiter? 🔍✂️ Turns out it is not as simple as it looks! We introduce the PROTAC-Splitter framework, an ML-based tool to decompose PROTACs in a consistent and automated way! (1/3)

PhD student position in neuro-symbolic AI in my group. Cross-disciplinary project with applied mechanics solving problems with recycling aluminium, contributing to sustainability: www.chalmers.se/en/about-cha...

Are you passionate about AI for molecular engineering? Just two weeks left to apply to the 2 PhD positions currently open in our team at Chalmers! 🎓 For details: ailab.bio/join-us

New pre-print from PhD student Hang Zou on warm-starting the variational quantum eigensolver using flows: Flow-VQE! Flow-VQE is parameter transfer on steroids: it learns how to solve a family of related problems, dramatically reducing the aggregate compute cost!

Miranda, Sofia, and @rbeckmann.bsky.social’s pre-print, LAGOM, on language models for metabolite prediction is now available on the @chemrxiv.bsky.social! Check it to learn how Transformers can be used to predict drug metabolism! 💊 chemrxiv.org/engage/chemr...

A great group of people right here!!! And they’re recruiting a new postdoc (deadline in 1 week), don’t miss this opportunity to apply to join Simon’s team at Chalmers 🤩

Time’s running out! Lead generative AI research for molecular dynamics in our lab AIMLeNS. - Scale our NeurIPS/ICLR-published implicit transfer operators to revolutionize simulations. Postdoc position closes 10. July. Apply now: www.chalmers.se/en/about-cha...

You can now check out a recording of Julija's excellent talk on the Chalmers AI4Science YouTube channel: www.youtube.com/watch?v=y_7a...

🚨 We are currently recruiting 2 PhD students to join our team at Chalmers, which you can learn more about on our team website: ailab.bio/join-us Details in thread below! (1/5)

Join us at 15:00 CEST for the AI4Science seminar with Julija Zavadlav! Either in-person at Chalmers, or over Zoom.

We had the final two MSc defenses in our team over the last few days. Congratulations to Dadi and Marcus who defended their thesis project yesterday (pictured with their supervisor Phil on the screen), and congratulations to Ranxuan who defended her project today (pictured with Eva and Stefano)! 🎉

The official opening to this position was just posted: www.chalmers.se/en/about-cha...

Congratulations to our MSc students Miranda and Sofia on successfully defending their thesis project this morning! 🧠💊🎉

Our department is recruiting a senior lecturer in Data Science and AI at the University of Gothenburg (joint department with Chalmers). Deadline to apply August 15th, 2025: web103.reachmee.com/ext/I005/103...

Congratulations to Nils and Francisco on a successful defense of their MSc thesis today at Chalmers, as well as to @farzanejp.bsky.social for the excellent supervision!

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!

Fantastic opportunity for any prospective postdocs! Great project with a great supervisor ☺️

New preprint alert 🚨 How can you guide diffusion and flow-based generative models when data is scarce but you have domain knowledge? We introduce Minimum Excess Work, a physics-inspired method for efficiently integrating sparse constraints. Thread below 👇https://arxiv.org/abs/2505.13375

🚨 Brand new postdoctoral researcher position in my group at Princeton! Please apply or share with anyone interested in computational materials science and being an electron whisperer! puwebp.princeton.edu/AcadHire/app....

The W-S lab is seeking to hire a research scientist! This person will lead wet-lab innovations in our team as we combine AI and experiments to understand and design dynamics! Thanks for sharing/RTs! jobs.wisc.edu/jobs/scienti...

New preprint from our group: Screening Diels-Alder reaction space to identify candidate reactions for self-healing polymer applications (1/5) chemrxiv.org/engage/chemr...

We are recruiting a PhD student in machine learning for photocatalysis! In this project, we will collaborate with the group of Frank Glorius @gloriusgroup.bsky.social to develop predictive tools for energy-transfer-catalyzed photocycloadditions. Reposts appreciated! jobs.ethz.ch/job/view/JOP...