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.

24-06-25 - 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. 🎓📄

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

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!

• Aug 26-28, 2024 - Machine Learning for Materials and Molecular Discoveries Symposium (ML2MD)
• Oct 29-31, 2024 - CHAIR Structured Learning Workshop

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! 🎉

24-01-29 - 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.