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Rocío Mercado Oropeza

@rociomer.bsky.social
394 followers 526 following 178 posts

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

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Reposted by Rocío Mercado Oropeza
Martin Rahm @rahmlab.bsky.social · 23/09/2026
PhD position at Chalmers University of Technology in 🇸🇪: computational materials design of carbon- and oxygen-based conductors! @chemjobber.bsky.social @thephdplace.bsky.social #PhDposition #CondensedMatter #CompChem #ChemSky #AcademicSky www.chalmers.se/en/about-cha...
chalmers.se
Vacancies
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Janus Juul Eriksen @januseriksen.bsky.social · 16/09/2026
Deadline on September 25th is approaching soon. Please get your applications in and reach out to me by email beforehand with any questions you might have. RTs are most welcome.
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Simon Olsson @smnlssn.bsky.social · 10/09/2026
When we design molecule we often want to target properties which are averages for the Boltzmann ensemble, rather than a single configuration or graph. Yet, current property-guided 3D generative models condition on single conformers. We target this with Boltzmann-Expected Design
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Rocío Mercado Oropeza @rociomer.bsky.social · 03/09/2026
Check out our recent study! now out in Digital Discovery
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Simon Olsson @smnlssn.bsky.social · 25/08/2026
Happy to announce this years Structured Learning Workshop, Oct 27–28 at Chalmers, Gothenburg! Exceptional speakers from academia & industry. Limited spots, apply to attend via the waiting list: chalmers.ungapped.io/Events/5f087...
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Rocío Mercado Oropeza @rociomer.bsky.social · 31/08/2026
Congrats Mark!!! 🤩
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MIT Department of Chemistry @mitchemistry.bsky.social · 25/08/2026
The MIT Department of Chemistry is hiring! We are seeking candidates for a tenure-track Assistant Professor position beginning July 1, 2027. We welcome applicants across all areas of chemistry. Applications are due October 1, 2026. Learn more and apply: chemistry.mit.edu/chemistry-ne...
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Rocío Mercado Oropeza @rociomer.bsky.social · 25/08/2026
Join us in Gothenburg this fall for the 4th annual Structured Learning Workshop! Amazing line-up 🤩
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Andrew Bissette @andrewbissette.bsky.social · 23/08/2026
Guys, Sweden is so nice. Have you heard about this?
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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 22/08/2026
Faculty position (open rank, open area of chemistry) at CMU! Come to be my colleague! Let me know if you have any questions about this position. #compchem #chemsky #chemfolks #chemjobs #academicjobs
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Alex Guseman @alexguseman.bsky.social · 21/08/2026
Come be my colleague! We are hiring a structural biologist. I have thoroughly enjoyed starting my career here and both department(s) are full of exceptional scientists. apol-recruit.ucsd.edu/JPF04589
apol-recruit.ucsd.edu
Assistant Professor in Structural Biochemistry
University of California, San Diego is hiring. Apply now!
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Greg Landrum @greglandrum.bsky.social · 18/08/2026
The #RDKit UGM in Darmstadt is almost here (16-18 September), but if you want to attend, we still have some slots available. Free registration here: www.eventbrite.com/e/15th-rdkit...
eventbrite.com
15th RDKit UGM 2026
2026 RDKit User Group Meeting (in person and online)
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Rocío Mercado Oropeza @rociomer.bsky.social · 13/08/2026
Excellent lab! (Mathilde Luneau's lab @ Chalmers)
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tenuretracker.info @tenuretracker.bsky.social · 13/08/2026
Chalmers University of Technology is hiring: Postdoc in Electrocatalysis #postdoc #chemsky #electrocatalysis
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Kay Severin @kay-severin.bsky.social · 13/08/2026
Faculty position in our institute @EPFL: www.epfl.ch/about/workin...
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Noel O'Boyle @baoilleach.bsky.social · 10/08/2026
We're still looking for candidates who are interested in working on an industry-relevant project in close collab with a major pharmaceutical company. It's a really nice opportunity for someone looking to transition to an industry position. #chemjobs #phdjobs #cheminformatics #bioinformatics
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Tristan Bereau @tbereau.bsky.social · 03/08/2026
PhD position in Heidelberg: generating amorphous molecular thin films with diffusion models rather than waiting for MD to equilibrate them — free energies from the same model. With U. Köthe. 3 years, funded. Physics degree required. tristanbereau.com/positions/ge...
tristanbereau.com
Generative machine learning for molecular thin films – Tristan Bereau
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Costa Samaras @costasamaras.com · 02/08/2026
The application for the AAAS Science & Technology Policy Fellowship, which places scientists & engineers into roles in Congress and in the Executive Branch, opened today. This program is essential for building technical policy capacity in the US. If interested, apply: fellowshipapp.aaas.org/app/main
fellowshipapp.aaas.org
STPF Application - AAAS
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pen(Taka) @iwatobipen.bsky.social · 01/08/2026
Run Openfold3 on my laptop machine #openfold3 #co-folding #informatics Recently several co-folding AI are available, for example AF3, Chai-1, protenix and openfold. This area is hot and growing day by day. Co-Folding AI has potential for taking SBDD approach without determining the target…
iwatobipen.wordpress.com
Run Openfold3 on my laptop machine #openfold3 #co-folding #informatics
Recently several co-folding AI are available, for example AF3, Chai-1, protenix and openfold. This area is hot and growing day by day. Co-Folding AI has potential for taking SBDD approach without determining the target protein-ligand structure. As most of readers know that there are still limitation of using co-folding AI for SBDD but really useful I think. I have an interest in openfold because openfold disclose code and has good open scientific community.
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Rocío Mercado Oropeza @rociomer.bsky.social · 29/07/2026
Tagging my fellow co-organizers on Bsky here: @smnlssn.bsky.social @mschauer.bsky.social @stefsm.bsky.social & Axel Ringh
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Rocío Mercado Oropeza @rociomer.bsky.social · 29/07/2026
Don't miss your chance to register for the Structured Learning Workshop, to be held October 27-28 in Gothenburg, Sweden. 🇸🇪 Amazing line-up of speakers, super excited to be hosting this event now for the 4th year here at Chalmers! Registration link and more info: chalmers.ungapped.io/Events/5f087...
chalmers.ungapped.io
2026 CHAIR Structured Learning Workshop
Welcome to the 2026 Chalmers AI Research Center Workshop for Structured Learning. In this workshop we broadly cover topics related to Structured Learning targeting specifically the following questions...
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Jes Frellsen @jesfrellsen.bsky.social · 01/07/2026
I am hiring a PhD student at DTU Compute to work on uncertainty quantification for large language models. 📅 Deadline: 7 August 2026. Please share with anyone who might be a great fit. 🔗 Apply here: efzu.fa.em2.oraclecloud.com/hcmUI/Candid...
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Rocío Mercado Oropeza @rociomer.bsky.social · 25/06/2026
I will be at ChemAI NYC next week! Really looking forward to it, both to present what our team has been up to and to meet everyone else there. If anybody wants to meet up while I'm New York please reach out 🗽 wp.nyu.edu/sccpc/chemai/
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Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 23/06/2026
Come join the new Novo Nordisk Foundation Center for Protein Design as a group leader Cool science in a great scientific environment in wonderful and very family friendly Copenhagen There are two positions that can either be at TT assistant or associate prof level employment.ku.dk/tenure-track...
employment.ku.dk
Tenure-track Assistant Professor or Associate Professor of De novo Protein Design
The Novo Nordisk Foundation Center for Protein Design at the University of Copenhagen seeks to appoint two new group leaders in de novo protein design from 1 February 2027 or as soon as possible thereafter. These positions will be at the Assistant or Associate Professor level and associated with the Department of Biology (Faculty of Science) or the Department of Drug Design and Pharmacology (Faculty of Health and Medical Sciences).
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Filip Miljković @filipmiljkovic.bsky.social · 21/06/2026
Our paper describing curation of bioactivity data for drugs and their associated metabolites is now published in Molecular Pharmaceutics. We were surprised to see that 26% of metabolites had either increased or retained activity compared to their parent drugs. Paper: pubs.acs.org/doi/10.1021/...
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Rocío Mercado Oropeza @rociomer.bsky.social · 19/06/2026
Exciting contributed talk from Patrícia
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Rocío Mercado Oropeza @rociomer.bsky.social · 19/06/2026
Finally two contributed talks from Harshit and Birgitta!
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Rocío Mercado Oropeza @rociomer.bsky.social · 19/06/2026
Excellent invited talks from Leiting, Shijing, and Andrey this morning
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Rocío Mercado Oropeza @rociomer.bsky.social · 19/06/2026
Glad midsommar! 🌼🇸🇪 Kicking off the third and final day of #ML2MD2026 with a talk from Leiting!
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Rocío Mercado Oropeza @rociomer.bsky.social · 18/06/2026
Conference dinner at Norrlands Nation 🥳🤩 everything super tasty and nice company
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Rocío Mercado Oropeza @rociomer.bsky.social · 18/06/2026
And finally this afternoon talks from Maxime and Matti! 👏👏
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Rocío Mercado Oropeza @rociomer.bsky.social · 18/06/2026
Talks now from Qing, Yicun, and Alicia!!
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Rocío Mercado Oropeza @rociomer.bsky.social · 18/06/2026
Rounding off the morning session with talks from Cheng, Moyses, and Nore 🤩
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Rocío Mercado Oropeza @rociomer.bsky.social · 18/06/2026
Second day of #ML2MD2026 starting with excellent talks from Xiang, Harish, and Shaoqi!
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Rocío Mercado Oropeza @rociomer.bsky.social · 17/06/2026
And finally rounded off the first day with a poster session, nice to see all the fun projects presented! 🥂
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Rocío Mercado Oropeza @rociomer.bsky.social · 17/06/2026
Continuing with the first session, excellent talks by Nick, Anders, and Florian 🙂
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Rocío Mercado Oropeza @rociomer.bsky.social · 17/06/2026
First session (generative AI for molecules and materials) started off with excellent talks from Rampi, Ying, and Anmar!
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Rocío Mercado Oropeza @rociomer.bsky.social · 17/06/2026
Kicking off #ML2MD2026 with introductory remarks from Chao and Håkan sharing about the WISE program! 🥳
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Rocío Mercado Oropeza @rociomer.bsky.social · 16/06/2026
Check it out and feedback welcome! 🙏 It is a review more than a year in the making. Made it with new PhD students entering the field in mind. ☺️
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Rocío Mercado Oropeza @rociomer.bsky.social · 16/06/2026
Amazing postdoc in my team Phil Harrison just preprinted on @chemrxiv.org his extensive review on biologically-conditioned molecular generative models, where we also provide perspective on where gaps are in the field and the challenges spanning biochem domains #chemsky chemrxiv.org/doi/10.26434...
chemrxiv.org
Biologically-driven generative chemistry: using biological data to guide de novo drug design | ChemRxiv
Drug discovery is a dauntingly difficult process due to the enormous space of possible molecules and the complexity of biological systems. Traditional in silico drug design methods have focused primarily on optimising chemical properties, often ...
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Alex Hernandez-Garcia @alexhergar.bsky.social · 12/06/2026
I very often hear from colleagues the argument that AI compute energy in Québec and Canada is almost free and clean so we don't need to worry about consumption. This is flawed in multiple ways but this report about the fed government plans to feed data centres with gas makes it crystal clear.
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Juliette Griffié @juliettegriffie.bsky.social · 11/06/2026
🚨I will be recruiting 2 PhD students to start this fall. You can apply for this position as of the 1st of July www.su.se/english/divi...
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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 10/06/2026
🚨 New Paper Alert 🚨 Check out this new paper from the Coley group. Congratulations to co-first authors Suong Tran and Jihye Roh! pubs.rsc.org/en/Content/A... #chemistry #chemsky #datachem #computerscience #nsf
pubs.rsc.org
Quantifying the Failure Modes of Current One-step Retrosynthesis Models
Computer-aided synthesis planning (CASP) automates retrosynthetic analysis, generally by recursively applying one-step retrosynthesis models within multistep search algorithms to simplify a target mol...
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Rocío Mercado Oropeza @rociomer.bsky.social · 09/06/2026
The seminar series will resume in September with an excellent line-up of speakers for fall 2026 (details coming soon). The seminar series is generously supported by the Chalmers AI Research Center (CHAIR). 🪑
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Rocío Mercado Oropeza @rociomer.bsky.social · 09/06/2026
On Thursday we look forward to hosting Sereina Riniker (ETH Zürich) for the last AI4Science seminar of the academic year. Don't miss it! At 15:00 CEST 🇸🇪 in EDIT Analysen at Chalmers, and online. See link below for details: www.chalmers.se/en/current/c... Co-organized with @smnlssn.bsky.social
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Paulo C. T. Souza @pauloctsouza.bsky.social · 07/06/2026
🚀 Sponsorship opportunities still available 📍 Lyon, France | 14–16 October 2026 Registration opening soon. Stay tuned for further announcements! #CGML2026 #MachineLearning #MolecularModeling #CoarseGrained #DrugDiscovery #Formulations #MaterialsScience
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Rocío Mercado Oropeza @rociomer.bsky.social · 04/06/2026
The TIMED NEST is generously funded by the Wallenberg National Program for Data-Driven Life Science (DDLS; @scilifelab.se) and the Wallenberg AI, Autonomous Systems and Software Program (WASP). Really cool work happening here at the interface of ML and molecular and cell biology!
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Rocío Mercado Oropeza @rociomer.bsky.social · 04/06/2026
My collaborator @ospjuth.bsky.social is recruiting a postdoc in cell biology to work on CRISPR perturbation and high-content imaging as part of our TIMED NEST project. Amazing team, please share! For information on how to apply, see the ad below: www.uu.se/en/about-uu/... #chemsky #chemjobs
uu.se
Postdoc in Cell Biology – CRISPR Perturbation and High-Content Imaging - Uppsala University
Postdoc in Cell Biology – CRISPR Perturbation and High-Content Imaging, Department of Pharmaceutical Biosciences, Uppsala University
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Cristina Trujillo @trujillo-group.bsky.social · 02/06/2026
MSCA Postdoctoral Fellowships are open. If you’re thinking of applying and your work fits catalysis / computational chemistry / QM-ML, feel free to get in touch for an informal chat. marie-sklodowska-curie-actions.ec.europa.eu/whats-new/ne... #MSCA #postdoc #compchem #catalysis #ML
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Rocío Mercado Oropeza @rociomer.bsky.social · 26/05/2026
Only a week left to apply!!! Registration closes June 1st for the 2nd Machine Learning for Materials and Molecular Discoveries (ML2MD) Symposium at Uppsala University 🇸🇪 June 17-19. #chemsky Note the updated speaker list. So excited for this event at the interface of AI and materials discovery! ⚛️
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