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Congratulations to our graduate student Lauren Onweller who passed her prelim exam this week. Her committee applauded her impactful research goals and the tremendous progress she has made towards achieving them. We look forward to celebrating her achievements Duke Biomedical Engineering Duke University.

Excited to share my first News & Views article with Daniel Reker in Nature Chemistry! We explore how machine learning can help navigate large peptide drug design spaces and discuss implications for type 2 diabetes treatment and drug development as a whole nature.com/articles/s4155…

Thrilled to share our Nature Chemistry News & Views led by Chloe Markey. We delve into groundbreaking work of AstraZeneca , Google DeepMind, and Cambridge University directed by Lucy Colwell to design GCGR/GLP-1R dual agonists w machine learning. rdcu.be/dQ6SR

En route to Denver for the American Chemical Society #ACSFall2024 meeting. Looking forward to giving 3 talks & catching up with old friends and making new ones - reach out if want to chat about #MachineLearning for #DrugDiscovery & #DrugDelivery. #chemtwitter #ScienceTwitter #ACS

Join us for the AI for Biomaterials two-day virtual workshop co-organized by Marian Hettiaratchi Celiz Lab on Sept 24/25! The event is hosted by Materials Research Society (MRS) and SFBiomaterials! Great talks by Dr. Christine Allen 🇨🇦 Daniel Reker Michael Webb and more! mrs.org/ai-for-biomate…

Our graduate student Chloe Chloe Markey passed her prelim this week with flying colors. The committee applauded her professional presentation and deep understanding of the field. We can't wait to share her impactful discoveries!

Only 50 days until the Biomedical Engineering Society #BMES2024 and the lab is excited to come out to the Charm City in full force to present our latest work on #MachineLearning for #DrugDiscovery & #DrugDelivery! Mark your calendars for our presentations and say Hi if you would like to connect!

Finding the most potent compounds using active learning on molecular pairs 1/ Introducing ActiveDelta: an innovative active learning framework that pairs molecular representations to predict potency improvements and identify the most potent inhibitors. This approach

Let's unleash the power of deep learning for low data drug discovery! 🤖💊 In our new paper, we pair molecules to enhance deep active learning to accelerate the discovery of potent & chem diverse drug candidates. 📜Paper: beilstein-journals.org/bjoc/articles/… 👩‍💻Code: github.com/RekerLab/Activ…

Never get's old to see our work in actual print.

One week until the AI for Biomaterials two-day virtual workshop hosted by Materials Research Society (MRS) and SFBiomaterials and co-organized with Marian Hettiaratchi and Celiz Lab! Join us September 24/25 by registering here: mrs.org/ai-for-biomate…

Although the weather did not cooperate, our 3rd annual lab beach retreat was a big splash! 🌊 Nothing could dampen our spirits as we recharged, rethought, and regrouped. Excited to see what this amazing team will discover next!👨‍🔬👩‍🔬

Come see us at #BMES2024 Biomedical Engineering Society this week in Baltimore!

Good morning from Salt Lake City! Looking forward to my first American Association of Pharmaceutical Scientists #PharmSci360. If you are around, would love to see you at my invited talk "Machine Learning for Drug Discovery and Drug Delivery" Tuesday, October 22, 2024 10:30 AM – 11:00 AM MT Location: 251 ABC

🔓Read #OpenAccess work from Daniel Reker & co on a molecular pairing approach to process traditionally inaccessible bounded data points to guide potency optimisations and molecular discovery, featured in our AI in MedChem collection🖥👇 pubs.rsc.org/en/content/art… 📍 Duke University

Derek van Tilborg Francesca Grisoni Molecular Machine Learning TU Eindhoven An accompanying News & Views by Zachary Fralish and Daniel Reker is now available for this paper! nature.com/articles/s4358… 🔓rdcu.be/dXOWX

A sunny morning in Baltimore and a wonderful session keynote talk by our postdoc Dr Yan Xiang on molecular dynamics & yoked deep learning for computational nanoparticle design. #bmes2024 #AI #nanoscience

The lab had a fantastic time at #bmes2024 Biomedical Engineering Society in Baltimore this week. Great science, food, and good to catch up with old and new friends!

After a stimulating #PharmSci360 in Salt Lake City and a wonderful #bmes2024 in Baltimore, excited for the last stop of my conference week at the 8th Bioengineering and Translational Medicine Conference #BioTM in San Diego!

My two favorite AI people at #AIChE2024! Adam Gormley Daniel Reker