News

  • 25-04-12 - This week we received two very good news about recent joint grant applications. We have been awarded 30M SEK in collaboration with Prof. Ola Spjuth (Uppsala University), Dr. Brinton Seashore-Ludlow (Karolinska Institute), Prof. Prashant Singh (Uppsala University), and Prof. Ashkan Panahi (Chalmers University of Technology) as part of the WASP-DDLS NEST program, and will soon be recruiting 5 PhD students as part of this NEST, including one in our team. Additionally, we have been awarded 10M SEK in collaboration with Prof. Chao Zhang and Prof. Daniel Brandell at Uppsala University as part of the WASP-WISE NEST program, and will soon be recruiting 2 PhD students and one postdoctoral researcher as part of this NEST, including one PhD student in our team. Stay tuned for more details! 🥳

  • 25-04-11 - Congratulations to Emma who has submitted her first publication with the team on her work on the RetroSynFormer. You can check out the pre-print on the ChemRxiv.

  • 25-04-10 - Today we welcome Dr. Varvara Voinarovska to the team! Varvara is an industrial postdoc working with our team and Dr. Samuel Genheden’s team in the Molecular AI team at AstraZeneca. She will be working on knowledge graph-enhanced LLMs for chemistry recommendations. Welcome (officially) to the team, Varvara!

  • 25-04-06 - Rocío had a great time at the forskarfika (part of the Gothenburg Science Festival), talking about how we use AI for molecular engineering. Thanks to Virginia de Luca Patriksson for both organizing this and many other events as part of the festival, and for all the nice pictures.

  • 25-03-30 - Big travel week for our team this week. Emma, Yossra, Richard, Pablo, and Farzaneh are in the Côte d’Azur this week for GeMSS (generative modeling summer school), where they will also be presenting posters on their work, and Rocío and Stefano are in Barcelona for an IRB Barcelona Biomed Conference, where Rocío is giving a talk and Stefano is presenting a poster. Thank you to everyone who is holding back the fort at Chalmers! 📷

  • 25-03-28 - Rocío, Richard, and Pablo attended the second annual meeting for the Intel-Merck AWASES program in Darmstadt (Germany), where they got to discuss science and project strategy with other members of the consortium and guests for an intense but rewarding two days. Unfortunately, we forgot to take a picture together, but here is a photo of the lovely (and sunny!) innovation center at the Merck HQ where the event was hosted.

  • 25-03-19 - Rocío and Farzaneh attended the Nordic CompChem Conference at the AstraZeneca headquarters in Gothenburg. Rocío gave a talk and Farzaneh presented an excellent poster on the use of AlphaFold 3 for PROTAC ternary complex prediction. 📸

  • 25-03-07 - Congrats to Francisco, Nils, and Farzaneh on their recent pre-print demonstrating the strengths of AlphaFold 3 for predicting PROTAC ternary complex formation. You can check out the pre-print on the ChemRxiv. 🎉

  • 25-02-21 - Together with our collaborators Dr. Filip Miljković and Dr. Susanne Winiwarter at AstraZeneca, we were awarded a DDLS Industry PhD project. The funds will cover an industrial PhD student over the course of four years to investigate the development of better AI models for drug metabolism. If you are a student interested in this position, reach out to Rocío and keep an eye out on the vacancies page—the project will be advertised soon. 🎓

  • 25-02-13 - We were recently awarded a WASP-WISE Pilot Project in collaboration with Prof. Anders Hellman from the Department of Physics. The funds will cover research assistants to investigate the use of LLMs for the design of mixed-metal oxides; if you are a student at Chalmers interested in this position, reach out to Rocío and keep an eye out on the vacancies page later this year. The project is expected to start June 2025.

  • 25-02-10 - Emma crushed it today at the DSAI division seminar!

  • 25-02-05 - Frederik’s paper on conditional crystal structure prediction using language models is now online and available to read on the arXiv! 🥳

  • 25-01-27 - Rocío had her halftime review seminar today! Thank you everyone who attended.

  • 25-01-20 - Today we officially kick off the spring term, and we welcome seven MSc students to the team who will be doing their MSc thesis projects with us: Miranda Carlsson, Sofia Larsson, Ranxuan Zhang, Dadi Andrason, Marcus Johansson, Nils Dunlop, and Francisco Alejandro Erazo Piza. Miranda and Sofia are working with Dr. Richard Beckmann and Dr. Filip Miljković (AZ); Ranxuan is working with Stefano Ribes, Dr. Eva Nittinger (AZ), and Dr. Christian Tyrchan (AZ); Dadi and Marcus are working with Dr. Phil Harrison; and Francisco and Nils are working with Dr. Farzaneh Jalalypour. Welcome all of you! 💻🎉

  • 24-12-20 - Unfortunately today we wished goodbye to Frederik, as he returns to Copenhagen to finish his PhD after a wonderful 3-month visiting research stay in the group. We (and Burger Thursdays) will miss you, Frederik!

  • 24-12-02 - Today we welcome Yaochen Rao to the team! Yaochen will be working on the development of deep generative models and molecular optimization approaches for small molecules. She recently completed her MSc here at Chalmers and is now pursuing a PhD. Welcome to the team, Yaochen!

  • 24-10-16 - Our team advertised many exciting MSc thesis projects at the MSc and BSc fair in Health, Life Science, and Technology. The projects will commence January 2025. Looking forward to welcoming all the new MSc students to the team!

  • 24-10-03 - Yossra’s article is now published in Digital Discovery! 🎉

  • 24-09-16 - Today we welcome Frederik Lizak Johansen as a visiting PhD student to the team! Frederik comes to us from the University of Copenhagen (Department of Computer Science and Department of Chemistry), and will be investigating the use of generative AI for crystal structure generation for the next three months in the team. Welcome, Frederik!

  • 24-09-02 - Today we welcome Pablo Martínez Crespo to the team! Pablo will be working on a collaborative project with Intel and Merck for the identification of PFAS replacement materials, focusing on the development of generative AI methods for PFAS alternatives. Welcome to the team, Pablo!

  • 24-08-28 - Thank you to all the speakers and attendees at the ML2MD Symposium! It was a pleasure to host you at the Lindholmen Conference Center here in Gothenburg, and great to discuss the present and future of machine learning in molecular and materials discovery. A special thanks to all speakers and poster presenters for your contributions to making the event a success.

  • 24-08-24 - To accompany his publication, recently accepted to Artificial Intelligence in the Life Sciences, Stefano created a Hugging Face application to predict degradation activity in PROTACs. Check it out: ailab-bio/PROTAC-Degradation-Predictor!

  • 24-08-05 - Today Dr. Richard Beckmann joins the team! Richard will be working on a collaborative project with Intel and Merck for the identification of PFAS replacement materials, focusing on the use of molecular simulation for machine learning applications. He comes to us from Ruhr University Bochum, and we are very happy to have him. Welcome, Richard!

  • 24-07-15 - To be more inclusive of upcoming research themes in our team, we are updating our team name from AI Lab for Biomolecular Engineering (AIBE) to AI Lab for Molecular Engineering (AIME). This better encompasses some of the materials science applications we are exploring in our team, in addition to the exciting biological applications.

  • 24-06-28 - This week, Stefano and Télio attended the GeMSS summer school in Eindhoven (Netherlands), where they also presented posters on their nice work thus far into their PhDs.

  • 24-06-25 - Congratulations to Stefano, Leo, and Yossra, who all submitted their first academic articles with the team (and for some, ever!) this month. You can find links to their pre-prints in our publications page to learn more about what they’ve been up to. 🎓📄

  • 24-06-12 - Stefano attended a summer school on Neurosymbolic Programming in Salem, Massachusetts this week!

  • 24-06-10 - Congratulations to Pär and Amanda who defended their MSc thesis today! 🎉

  • 24-05-31 - Congratulations to Philip who has defended his MSc thesis today! Well done!

  • 24-05-30 - Congratulations to Jin who defended her BSc thesis at Karlstad University today! 🎉🎊

  • 24-05-27 - Congratulations to Anders and Leo who have successfully defended their master theses today! We’re very proud of both of you!

  • 24-05-17 - Today we said goodbye to Eli, who has finished her 3 month research stay in the group. She will return to Spain now to finish her PhD. Best of luck, Eli!

  • 24-05-02 - Today we welcome Dr. Farzaneh Jalalypour to the team! Farzaneh is coming from the SciLifeLab in Stockholm, and will be working at the interface of molecular simulations and machine learning for modeling PROTAC cellular permeability in our team. We are thrilled to have her join the team. Welcome, Farzaneh! 🎉

  • 24-04-23 - We have recently re-advertised a PhD position in the team, funded via the Intel-Merck AWASES program. Here is the link to the PhD advertisement. Please apply by May 25th, 2024 for full consideration, and feel free to contact Rocío for more information!

  • 24-04-16 - Yossra, Télio, Stefano, and Rocío were recently in Copenhagen for the GenLife conference. Here are Télio and Stefano by their posters! And thanks, Stefano, for remembering to take pictures!

  • 24-04-14 - Save the date for the following two exciting workshops happening in Gothenburg this fall:

  • 24-03-04 - Today we welcome Stefano Ribes back to the team, now as a PhD student! Stefano will be working on AI-driven molecular engineering with applications in drug discovery. Welcome! 🚀🎉

  • 24-02-20 - Today we welcome Elaheh (Eli) Kazemi to the team, who is joining us from IMDEA Materials Institute for a three month research visit. She will be working on materials property prediction using machine learning. Welcome, Eli! 🎉

  • 24-02-09 - Goodbye fika for María’s last day of her research visit, featuring a ChatGPT-generated vegan and gluten-free cake. We will miss you, María!

  • 24-01-29 - We are currently recruiting two new members, funded via the Intel-Merck AWASES program. In this project, a PhD student and postdoc will work closely with researchers at Intel and Merck to engineer non-toxic PFAS replacements using AI. Here is the link to the PhD advertisement, and here is the link to the postdoc advertisement. Apply to join us!

  • 24-01-18 - Today we welcome Pär Aronsson and Amanda Dehlén, who will be doing their MSc thesis at AstraZeneca this spring working with Dr. Filip Miljković on AI for metabolite prediction. Welcome, Pär and Amanda! 💻🎉

  • 24-01-17 - Today we welcome Jin Ahmad from Karlstad University. Jin is doing her BSc thesis with our group and Dr. Angela Grommet’s lab here at Chalmers exploring generative AI to design coordination cages! Welcome, Jin! 👩🏻‍🔬

  • 24-01-15 - Today we welcome Philip Ivers Ohlsson, who will be doing his MSc thesis at AstraZeneca this spring working with Dr. Vignesh Subramanian on deep learning for cellular permeability prediction! Welcome, Philip! 🎉

  • 24-01-08 - This week we welcome our first postdoc, Phil Harrison, to the group. Phil will be working on morphology-guided de novo drug design. He received a PhD in pharmaceutical science from Uppsala University in 2023. Welcome to the group, Phil! 🦠

  • 23-12-13 - Group fika before the holidays with two special guests!

  • 23-10-23 - This week we have María Nuria joining us from the University of Barcelona for a visiting research stay. She will be joining us for 3 months to explore the use of machine learning methods for binding site identification from molecular dynamics trajectories. Welcome Maria! 💻🎉

  • 23-10-02 - Today we welcome industrial PhD student Emma to the group! Emma is an Industrial WASP PhD student who will be working jointly with AstraZeneca on the development of language models for drug discovery (industry co-supervisor: Dr. Samuel Genheden). Welcome! 🎉

  • 23-09-01 - Today we welcome PhD students Yossra and Télio to the group! Yossra and Télio are both WASP-funded PhD students who will be working on the development of methods for multi-target therapeutic modality engineering and multi-modal deep learning from high-content assay data (respectively). Welcome! 🎉

  • 23-08-28 - This week we welcome Leo and Anders to the group! Over the coming year, Leo will work on learning meaningful representations of cells using machine learning, and Anders will investigate protein degradation prediction using machine learning at AstraZeneca. 🦠🧬💻

  • 23-08-25 - Congratulations to Mert on defending his master thesis today!

  • 23-07-10 - Happy to have Mert and Stefano continuing their research projects over the summer. ☀️

  • 23-06-10 - Congratulations to Kinga, Siva, Supriya, Stefano, Preetha, and Edwin on defending their master theses this week!

  • 23-03-10 - This week we welcome MSc student Mert, who is also working on his MSc thesis project with AstraZeneca this spring.

  • 23-01-16 - This week we welcome MSc students Kinga, Stefano, Edwin, Preetha, Siva, and Supriya, who will be working on their MSc thesis projects jointly with AstraZeneca this spring. Lycka till!

  • 23-01-09 - Rocío’s first official day at Chalmers! Thank you everyone at DSAI for the warm welcome.

  • 22-11-11 - Rocío recently did a Q&A where she talked about the lab’s research and why she’s excited to join the CSE department. You can check out a clip 🎞️here🎞️!

  • 22-11-06 - 🚧 Although the website is still under construction, the main pages are now up and running! Feel free to browse our research interests and publications, or check out open positions in the lab.