Rocío Mercado Oropeza

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

Men studying a dragon

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/...

Job advertisement of the University of Bayreuth  - Chair of Physical Chemistry V: Theory and Machine Learning Fixed-Term Research Associate (m/f/d, E13 TV-L, 67%) in the field of Machine Learning for Materials Chemistry

📢 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...

🐴🧧🎆

Not exactly related to journal feeds but lately I like the papers I've been finding with Scholar Inbox (and has thumbs up/down option)

Hiring 2 Postdocs to work on Theoretical Foundations of AI Safety at Chalmers in Gothenburg 🌲🌊

If you have a background in Physics, Math, or ML and want to tackle AI alignment at a fundamental level alongside UCL, apply below!

🔗 Apply: www.chalmers.se/en/about-cha...
🔬 Lab: stefsmlab.github.io

🚀 Opportunities everywhere at AIchemy right now…

We’re especially excited to share the Google DeepMind Research Ready Internship Scheme 2026, based at the University of Liverpool 🤖🌍

👉 Find out more and apply: buff.ly/xPikZmY

PhD positions in my lab (AI for Science), but with special preference for people who complement our current activities or are enthusiastic about contributing to our on going work. Looking for technically strong, independent and proactive candidates. www.chalmers.se/en/about-cha...

New pre-print from the lab on scaling transferable implicit transfer operators to protein dynamics. Collaboration with @olewinther.bsky.social lead by @panosantoniadis.bsky.social.

A critical assessment of bonding descriptors for predicting materials properties Most machine learning models for materials science rely on descriptors based on materials compositions and structures, even though the chemical bond has been proven to be a valuable concept for predic...

In a new preprint, we systematically demonstrate that quantum‑chemical bonding descriptors improve machine‑learning models and yield more accurate, interpretable predictions of bonding‑related material properties, including thermal conductivity.
arxiv.org/abs/2602.12109

#compchem

Today we are excited to welcome @vlderinger.bsky.social to this years first Chalmers AI4Science seminar. Please join us in-person on the Johanneberg Campus (EDIT, Analysen) or online (psolsson.github.io/AI4ScienceSe... ) in 45 mins!

Had a great time at EPFL during today’s morning session of #AMLD2026, especially the AI & the Molecular World track. Thanks to the organizers for a great event. And fun to see how far we’ve come with robotics at the morning keynotes! 🤖