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rociomer.bsky.social
Rocío Mercado Oropeza
@rociomer.bsky.social
280 followers 440 following 85 posts
Assistant professor in Data Science and AI at Chalmers University of Technology | PI: AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
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rociomer.bsky.social
Looking forward to presenting next year at the Chemical Compound Space Conference (CCSC) to be held March 10-13th 2026 in Munich.

Early bird registration now extended to Nov 27th!

Event link and registration: ccsc2026.github.io

#chemsky
November 17, 2025 at 10:17 AM
rociomer.bsky.social
Excited to welcome today @micheleceriotti.bsky.social for the Chalmers AI4Science Seminar at 15:00 Swedish time! In-person seminar in EDIT Analysen at Chalmers, followed by fika. ☕ For remote joining via Zoom, see:
psolsson.github.io/AI4ScienceSe...

with @smnlssn.bsky.social
November 13, 2025 at 7:43 AM
rociomer.bsky.social
Our newest PhD students presenting and discussing at the DDLS Annual Meeting poster session earlier this evening!
November 12, 2025 at 10:24 PM
rociomer.bsky.social
Had an exciting day kicking off our WASP/DDLS NEST project in AI for live-cell imaging & drug design in Uppsala! 🇸🇪

To learn more about our project, see: wasp-sweden.org/nest-project...

With @ospjuth.bsky.social
November 12, 2025 at 2:16 AM
rociomer.bsky.social
Our work exploring co-folding methods for PROTAC ternary structure prediction is now accepted in @digital-discovery.rsc.org!

Article: pubs.rsc.org/en/Content/A...

Website: protacfold.xyz

Great work led by 2 amazing students in our team, Nils and Francisco, together with @farzanejp.bsky.social! 🤩
November 10, 2025 at 10:23 AM
rociomer.bsky.social
Our work with AstraZeneca on developing multi-task graph neural network models for cell permeability predictions is finally out in ACS Omega! #chemsky

pubs.acs.org/doi/10.1021/...
November 6, 2025 at 12:03 PM
rociomer.bsky.social
Afternoon talks by:
@marcocuturi.bsky.social
Elena Agliari
Jan Gerken

Thanks all for the great talks, conversations, and engagement! Fingers crossed we get to host this event a 4th time next year and see many of you back in Gothenburg 🤞🇸🇪
October 29, 2025 at 8:58 PM
rociomer.bsky.social
Second (and final) day of the Structured Learning workshop @ Chalmers.

Morning talks by:
@alextong.bsky.social
Alessandro Ingrosso
Jens Sjölund
@mbetcke.bsky.social
October 29, 2025 at 8:58 PM
rociomer.bsky.social
Tagging my fellow co-organizers who made this event possible:
@smnlssn.bsky.social
@mschauer.bsky.social
@stefsm.bsky.social
Axel Ringh
& of course Fatima Hersi 🙏
October 28, 2025 at 10:47 PM
rociomer.bsky.social
Also an amazing poster session. 🤩 Thanks all for today!
October 28, 2025 at 10:47 PM
rociomer.bsky.social
Great first day of the 3rd annual CHAIR Structured Learning Workshop @ Chalmers! 🥳

Event page & agenda: ui.ungpd.com/Events/60bfc...

1st day featuring:
@betapata.bsky.social
@janstuehmer.bsky.social
@arnauddoucet.bsky.social
@frejohk.bsky.social
October 28, 2025 at 10:47 PM
rociomer.bsky.social
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
September 22, 2025 at 2:06 PM
rociomer.bsky.social
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
September 10, 2025 at 8:24 AM
rociomer.bsky.social
📄📄📄 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/...
August 5, 2025 at 6:56 AM
rociomer.bsky.social
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
Overview of the PROTACFold automated data extraction, modeling, and analysis pipeline.
July 14, 2025 at 10:04 AM
rociomer.bsky.social
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
July 10, 2025 at 5:31 PM
rociomer.bsky.social
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)
July 8, 2025 at 7:59 AM
rociomer.bsky.social
🚨 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)
AIME team fika in our cozy lunch room. AIME at MSc thesis project fair. AIME at Burger Thursdays.
June 16, 2025 at 8:28 AM
rociomer.bsky.social
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)! 🎉
Rocío, Phil, Dadi, and Marcus after Dadi and Marcus's MSc defense. Eva, Stefano, Ranxuan, and Rocío after Ranxuan's MSc defense.
June 11, 2025 at 11:33 AM
rociomer.bsky.social
Congratulations to our MSc students Miranda and Sofia on successfully defending their thesis project this morning! 🧠💊🎉
Richard, Rocío, Sofia, Miranda, and Filip after the defense.
June 9, 2025 at 9:27 AM
rociomer.bsky.social
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!
Farzaneh, Nils, Francisco, and Rocío after Nils and Francisco successfully defended their MSc thesis at Chalmers.
June 2, 2025 at 8:22 AM
rociomer.bsky.social
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!
Most of our extended team (including co-supervised students) posing in front of the propeller at Chalmers after the rain stopped. Richard drawing on the board while the team listens and gives feedback. Yossra giving her project pitch while the team listens. The extended team + our guest Dr. Filip Miljković on the stairs in the physics building at Chalmers.
May 28, 2025 at 5:22 PM
rociomer.bsky.social
In about 15 minutes we have the pleasure of welcoming @cersonsky.bsky.social to this month's Chalmers AI4Science seminar! The seminar will take place in person or via zoom -- for details, please see: www.chalmers.se/en/current/c...
May 8, 2025 at 12:41 PM
rociomer.bsky.social
Thanks to all the speakers and participants for the engaging discussions today, and for making the AI4Mat@ICLR 2025 workshop a great success! Thanks also to Santiago, @martaowesyou.bsky.social, and the rest of the co-organizing team for the effort putting this together. Great to be a part of it!
Singapore EXPO sign outside of the convention center where ICLR was held. Co-organizer photo with Santiago, myself, and Marta at the end of the workshop.
April 28, 2025 at 10:42 AM
rociomer.bsky.social
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)
Overview of the RetroSynFormer architecture.
April 15, 2025 at 4:24 PM