📢📢 Proteina-Complexa 📢📢 Atomistic Binder Design with Generative Pretraining and Test-Time Compute + Experimental Validation at Scale ⭐️ Project page (research.nvidia.com/labs/genair/...) for: 📜 Method paper (ICLR' 2026 Oral) 🧬 Wet lab paper 🛠️ Code & Models 📁 Data 🧵 Thread (1/n)
Karsten Kreis
@karstenkreis.bsky.social
Principal Research Scientist at NVIDIA | Former Physicist | Deep Generative Learning | https://karstenkreis.github.io/ Opinions are my own.
Partially-latent flow matching enables sequence-structure codesign of large proteins and functional motif scaffolding. @kdidi.bsky.social @machine.learning.bio @karstenkreis.bsky.social @arashv.bsky.social arxiv.org/html/2507.09...
🔥 I'm at ICLR'25 in Singapore this week - happy to chat! 📜 With wonderful co-authors, I'm co-presenting 4 main conference papers and 3 @gembioworkshop.bsky.social papers (gembio.ai), and I contribute to a panel (synthetic-data-iclr.github.io). 🧵 Overview in thread. (1/n)
🔥 ProtComposer (ICLR'25 Oral) is a Swiss Army knife: (i) Manually create new protein structure layouts? ✅ (ii) Generation with favorable designability/diversity/novelty trade-offs? ✅ (iii) Spatially edit given proteins? ✅ Very original work by the amazing @hannes-stark.bsky.social and Bowen Jing!🔥
New paper (and #ICLR2025 Oral :)): ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids arxiv.org/abs/2503.05025 Condition on your 3D layout (of ellipsoids) to generate proteins like this or to get better designability/diversity/novelty tradeoffs. 1/6
📢📢 "Proteina: Scaling Flow-based Protein Structure Generative Models" #ICLR2025 (Oral Presentation) 🔥 Project page: research.nvidia.com/labs/genair/... 📜 Paper: arxiv.org/abs/2503.00710 🛠️ Code and weights: github.com/NVIDIA-Digit... 🧵Details in thread... (1/n)