Structure prediction of protein-ligand complexes from sequence information. State of the art. Data available+Code available (including a Colab). biorxiv.org/content/10.110…

Next Tuesday, 11/14 @ 4 pm EST we'll have Samuel Stanton and Nate Gruver present: Protein Design with Guided Discrete Diffusion Read the paper: arxiv.org/abs/2305.20009 Zoom links will be sent out via email as per usual, sign up on our website to receive them in your inbox!

Super excited that EEML will take place 15-20 July 2024, in my hometown of Novi Sad, Serbia 🇷🇸 The applications are open January-March 2024 [eeml.eu] Looking forward to the amazing speakers, tutors and student participants! 🤩

Our Senior Principal Scientist and Machine Learning Lead Andreas Loukas will be giving a keynote at Learning on Graphs Conference 2025 tomorrow, Tuesday, November 28 at 10am EST. Be sure to check it out below 👇

Karolis Martinkus (Karolis Martinkus) and Andreas Loukas (Andreas Loukas ) from Prescient Design presenting our "AbDiffuser: Full-Atom Generation of In-Vitro Functioning Antibodies" poster now (Hall B, poster #109) #NeurIPS2023

I'm giving a (virtual) Spotlight talk at tomorrow's NeurIPS Conference GenBio Workshop @ ICML25 !

Excited to share PDGrapher! - a causally-inspired GNN model to predict therapeutically useful perturbagens🧬💊 📜biorxiv.org/content/10.110… 🔬zitniklab.hms.harvard.edu/projects/PDGra… 💫Thank you to amazing collaborators and mentors Marinka Zitnik, Isuru Herath, Kirill Veselkov, Michael Bronstein

Internship opportunity 🤓 - work with us on generative AI for antibody design Apply here: careers.roche.com/global/en/job/…

You want to use stochastic calculus to improve diffusion models? You want the fruits of your work to be tested in a wet lab? You want to float down the Rhine to work? Then, apply for our internship in Basel: careers.roche.com/global/en/job/…

🦠POSTDOC OPENING!🧬 How can we understand the microbiome if there are so many dark proteins we know nothing about?.. YET! You can help to change that by joining us Sano Centre for Computational Medicine in a project with Torsten Schwede & Joana Pereira sano.science/job-offers/pos… more in a thread below

AI for biology has the potential to help solve some of the most important problems facing our society. Scientific openness will be critical for our field to progress. As scientists engaged in this work, with more than 90 signatories across the world, we are advancing a framework

We’re excited to share our preprint where we show, for the first time, the atomically accurate design of VHH antibodies!

Excited to share our new preprint 🥳🥳 Implicit guidance with PropEn: Match your data to follow the gradient 🔗 arxiv.org/pdf/2405.18075 Joint work with Andreas Loukas, Kyunghyun Cho, VGligorijevic at @prescientdesign & Genentech

Dive into the world of explainability in graph DL for biomedicine with Chirag Agarwal and me online at #ISMB2024 on July 8! iscb.org/ismb2024/progr… 🌐💻You'll learn: 🧬 The basics of graph DL & GNNs in biomedicine 💡 Why explainability is key in biomedical ML models 🧵⬇️

Delighted to have had a chance to present my career path and research experience with an amazing set of co-panelists, and chat with talented students at EEML in my hometown of Novi Sad!

Join us in NYC as a graduate student intern Prescient Design, Genentech this summer to work on fundamental research in 3D generative models, with applications to protein design! Apply directly, and please share with anyone who may be interested! Link below 👇👇

Protein engineering in low-data regimes with pairwise representations A 🧵on our latest preprint: DyAb predicts binding affinity with high accuracy using as little as 100 training examples and generates designs with > 10x improved binding 1/

Lab-in-the-loop therapeutic antibody design At Prescient Design Genentech we have spent 3+ years reimagining drug discovery. We built a machine learning system to design and execute experiments. Here's how it works and what we can do 🧵 1/

Applications for the Mediterranean ML summer school in Split, Croatia 8-12 September 2025 are now open! 🎉🤖💻

We are presenting 5 papers ICLR 2026 on AI4Bio / BioML: Interpretable LLMs, all-atom latent diffusion, Agents, & guided sampling from foundation models 🧵1/