@rociomer.bsky.social
Assistant professor in Data Science and AI at Chalmers University of Technology | SciLifeLab Group Leader | PI for AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
A poster award for Katharina Ueltzen at the Chemical Compound Space Conference! So very happy for her and I think it is so very much deserved. She drives the project and I am very lucky to work with her.
congrats! 🎉
And some pictures from today @jtmargraf.bsky.social @joshuaschrier.bsky.social @grynova.bsky.social thanks for a great meeting especially to the organizers 🙏 #CCSC2026
Some more highlights from the afternoon session yesterday @podewitzlab.bsky.social @thijsstuyver.bsky.social and many more great talks 🤩
Finally made it to #CCSC2026! Amazing talks this morning (day 3) from @vlderinger.bsky.social @mahrossi.bsky.social @molecularxtal.bsky.social 🤩 great to be here
Shout out also to my TA and PhD student Stefano for the excellent support throughout 🙌 really great experience working together on this.
Last day of AI4Molecules 🥲 it’s been a blast developing materials for and teaching this course! 💻⚛️🧑🔬 Seeing students engage with the material and present their exciting project results makes all the months spent on course development so worth it.
Registration is now open for the 4th SIMPLAIX Workshop!
📅 6–8 May 2026
📍 Studio Villa Bosch, Heidelberg
Three days of cutting-edge discussions at the intersection of machine learning and multiscale molecular modeling.
🔗 Register now: simplaix-workshop2026.h-its.org
#SIMPLAIX26
Have sadly also seen this. On the plus side, it makes it easier to narrow down the pool of candidates. I have found having 2 rounds of interviews really helps (partially for this reason) as blatant (and disrespectful) use of LLMs is not something I will reward with a longer, 2nd round interview.
Work led by industrial PhD student Sofia Larsson and in close collaboration with Susanne Winiwarter and @filipmiljkovic.bsky.social at AstraZeneca.
📄 Paper: chemrxiv.org/doi/full/10....
💻 Code: github.com/tsofiac/drug...
💽 Data: zenodo.org/records/1874...
Excited to share our pre-print on the curation of a new bioactivity dataset for metabolic transformations. 🧪🧑💻 We were surprised to find that roughly a quarter of our drug-metabolite-target combinations contain metabolites with retained or increased bioactivity relative to the parent drugs! #chemsky
ENDOWED PROFESSORSHIP IN HISTORY OF SCIENCE
My home department at Uppsala University is advertising an endowed professorship in the history of science. This is the best position in the field in Sweden, and probably in all of Scandinavia. Apply before 30 April 2026. www.uu.se/en/about-uu/...
📢 We're hiring a PhD student in ML for Materials Chemistry at Uni Bayreuth! Apply if you're into atomistic simulations and the intersections between physics, chemistry and ML.
We offer a great environment in one of the nicest towns in Germany. Apply here: bit.ly/4aPBgE9.
#compchem #chemsky
interesting, how many params is your model? I guess this is ViT training you're talking about here?
can you elaborate 🤣
Thank you very much indeed @rociomer.bsky.social and @smnlssn.bsky.social for the opportunity to visit Chalmers, and to speak in this series! #compchem
Not sure if my favorite but just wanted to throw in the recent MatterGen conditional generation example (TaCr2O6)
"The synthesized material’s structure aligns with the one proposed by MatterGen, with the caveat of compositional disorder between Ta and Cr."
www.microsoft.com/en-us/resear...
What's your favorite example of the computational discovery/prediction of a new material? #chemsky
for me it is the videos of all the cows separated from their calfs, how we can do this and be ok with it as a society, can you imagine the pain they must feel
so relatable, now list the good things though :)
Happy to share our article on the PROTAC-Splitter, an ML framework for automated identification of PROTAC substructures, is now finally online in Journal of Cheminformatics! rdcu.be/e4Ulj 🤩
Work led by our amazing senior PhD student Stefano, together with collaborators at AstraZeneca. #chemsky
Various possible host departments include the Department of Chemistry and Chemical Engineering, the Department of Life Sciences, or the Department of Electrical Engineering
See ad for more info 👆
My university (Chalmers University of Technology in 🇸🇪) is recruiting an assistant professor in data-driven cell & molecular biology, funded by the DDLS program @scilifelab.se #chemsky #facultychemjobs
The position comes with a nice start-up package
www.chalmers.se/en/about-cha...
Okay, as promised, here's a summary of "keeping up with the literature" tools #chemsky
What I want is a "sort by best" tool that learns my preferences.
I'm not sure there's a perfect solution now, but there are some promising tools...
Organizers Wanted!
#WiML is looking for organizers for:
-NeurIPS Workshop 2026
-ICML Symposium 2026
-Mentorship Programs 2026
-ICLR Social 2026 & more
Mid career members especially encouraged! Funding & travel support included.
Deadline: Feb 28, 2026 AoE
More Info: docs.google.com/forms/d/e/1F...
I'm very happy to see this nice discussion. The cytosol and crowding are a big deal in cell biology, but it's still not uncommon to see cells treated as though they were a bag of dilute, well-mixed molecules...
📢 We’re now accepting applications for the 2026 School on Analytical Connectionism dedicated this year to Language Acquisition.
📍 Gothenburg, Sweden
🗓️ August 17–28, 2026
☠️ Apply by April 17!
🔗 analytical-connectionism.net/school/2026/
👇 Meet the experts joining us this summer!
🧪
A recording of @vlderinger.bsky.social's excellent talk now available on the Chalmers AI4Science Seminar YouTube Channel, check it out! 🎬
www.youtube.com/watch?v=MWei...
🐴🧧🎆