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Our new #ICLR2025 oral shows how you can improve designability and diversity of generated proteins by guiding their generation with 3D blobs. This allows scientists and protein designers to create and manipulate proteins with simple structural primitives.

The NVIDIA bio generative modelling folks Tomas Geffner Kieran Didi @ICLR Karsten Kreis Arash Vahdat & co (and their interns :)) are on an absolute tear this year and this one you don't want to miss!!

🔥Large-scale protein structure generation? Flow Matching? Fold class guidance? Big transformers? State-of-the-art benchmark performance?🔥 Very excited for this session on Friday, with the amazing Tomas Geffner, & hosted by Michael Bronstein, Bruno Correia! Hope to see you there! 😀

🔥📔 This week at #ICLR2025, our fundamental generative AI research team (GenAIR) is (co-)presenting 11 papers, 6 of which were developed or led primarily by our team members. Below, I am listing our main papers with a one-sentence summary.

Excited to present my first paper officially as a PhD student now as an ICLR Oral this week! Super fun work with the GenAIR team at NVIDIA. Talk: Fr 10:54 - 11:06 (Oral Session 3B, Garnet 213-215) Poster: Fr 15:00-17:30 (Hall 3 + Hall 2B #5) Come by the poster/reach out to chat

This is coming up soon; if you are interested in meeting fun people and having a good time cracking some challenging scientific problems apply!

Very exciting initiative!

Really pleased to share what I have been working on for 2 months: 🇬🇧 UK SovAI are today announcing our £8m seed investment into OpenBind - A consortium that will actually make AI for drug discovery great by generating 500k experiment protein-ligand complexes!! Explainer 🧵 (1/n)

Thanks AK for highlighting our work, led by the amazing Amirmojtaba Sabour! Project page: research.nvidia.com/labs/toronto-a… arXiv: arxiv.org/abs/2506.14603 Daily Papers (huggingface.co/papers) is a fantastic resource!

📢📢 Elucidated Rolling Diffusion Models (ERDM) How can we stably roll out diffusion models for sequence generation in data-scarce dynamical systems? We elucidate the design of rolling diffusion, inspired by prob. flow ODEs and nonisotropic noise. 📄 arxiv.org/pdf/2506.20024

🎉Personal update: I'm thrilled to announce that I'm joining Imperial College London Imperial College London as an Assistant Professor of Computing Imperial Computing starting January 2026. My future lab and I will continue to work on building better Generative Models 🤖, the hardest

🚨 ICML 2025 Paper 🚨 "On Measuring Long-Range Interactions in Graph Neural Networks" We formalize the long-range problem in GNNs: 💡Derive a principled range measure 🔧 Tools to assess models & benchmarks 🔬Critically assess LRGB 🧵 Thread below 👇 #ICML2025

📢📢 "La-Proteina: Atomistic Protein Generation via Partially Latent Flow Matching" Fully atomistic. Partially latent. Structurally precise. Entirely generative. w/ Tomas Geffner*, Kieran Didi @ICLR*, et al. 📜 Project page & paper: research.nvidia.com/labs/genair/la… 🧵 Thread below... (1/n)

These guys are crushing all of the benchmarks 🦾. Congrats to Tomas Geffner, Kieran Didi and team!

Hybrid explicit-latent flows are the new foundation models for protein structures. La-Proteina shows that one network can design 800-residue, all-atom structures and sequences, then perform well at motif scaffolding. Read more: nvda.ws/4nOjBSL