Really excited: 2/2 our papers got accepted to ICLR 2026! Thanks to all amazing co-authors and hope to see you in Singapore! 🇸🇬 If you're interested in generative models and RL agents for drug design check our papers in the thread 🧵

The code & camera-ready version of our #ICLR2025 paper on "Multi-domain Distribution Learning for De Novo Drug Design" are now available 📚 Paper: openreview.net/forum?id=g3VCI… 💻 Code: github.com/LPDI-EPFL/Drug… (1/4)

We (together with Ilia Igashov, Adrian Dobbelstein, Thomas, Michael Bronstein, and Bruno Correia) introduce two new models for target-conditioned drug design in 3D (DrugFlow and FlexFlow), which sample new molecules using a mixed continuous/discrete generative framework. (2/4)

🚨 Check out DrugFlow, our new generative model for structure-based drug design. DrugFlow provides an atom-level confidence score for each designed molecule, and can adjust molecular size on the fly! Additional details in thread 🧵 #ICLR2025

Excited to be at #ICLR2025 and happy to chat about ML and drug discovery! 🇸🇬 Come find me at one of our posters or feel free to reach out directly! 1. DrugFlow: #9 Thu 24/04 10am 2. SynFlowNet: #15 Fri 25/04 10am 3. LDDM: GEMBio Workshop 27/04 4. LatentFrag: #AI4MAT 28/04

We'll be presenting the poster tomorrow (Thu 24/04) at 10am #ICLR2025. Please come and say hi :) iclr.cc/virtual/2025/p… Ilia Igashov Adrian Dobbelstein

Hello from Singapore 🇸🇬! Thrilled to be at #ICLR2025 presenting our work on fragment-based drug discovery 🧩. We go beyond virtual screening with a generative, structure-aware approach. 📃 openreview.net/forum?id=bZW1H… 🔗 github.com/rneeser/Latent… A thread 🧵👇

Just returned from an inspiring week at #ICLR2025 in Singapore!​ I presented two posters (DrugFlow and LDDM) together with Ilia Igashov & Arne Schneuing. I am very grateful for the engaging discussions and feedback. Looking forward to continued collaborations and future conferences!

The first day of our bioML symposium at IOCB Prague went very well. It is amazing to see how fast this field is moving forward. Thanks to everyone for the fantastic talks! 🤖🧬

Exciting to see our protein binder design pipeline BindCraft published in its final form in nature ! This has been an amazing collaborative effort with Lennart, Christian Schellhaas, Sergey Ovchinnikov, Bruno Correia and many other amazing lab members and collaborators. nature.com/articles/s4158…