🎉 "CatFlow: Co-generation of Slab-Adsorbate Systems via Flow Matching" has been accepted at #ICML2026!
We develop flow matching for catalyst design at the all-atom level with a factorized representation.
Thanks to @__na__young__ , @honghui_kim , and @sungsoo_ahn_
Huge thanks to Hyosoon Jang (co-first) and @sungsoo_ahn_ for their support and guidance.
This is part of the bigger “K-Fold” project, supported by the Korean Ministry of Science and ICT.
📄 Paper: https://t.co/ANrlAWZ1lK
💻 Code coming soon. Stay tuned! (9/9)
What should a structure-aware protein representation be good at?
It should provide geometric signals that structure models can use.
We introduce:
1️⃣ TriProRep: atom-level protein representations
2️⃣ REPSP: a structure-predictive benchmark
https://t.co/pFv2AdLkuM 👇 (1/9)
Finally, REPSP tests whether representations can supervise folding models directly, as in REPA.
TriProRep works not only as input features for co-folding, but also as a representation-alignment target for monomer structure prediction. (8/9)
I am thrilled to share that our work about test-time adaptation has been accepted to #NeurIPS2022!
Many thanks to my collaborators: @jongheon_j, Taewon Kim, @hai_yewon, @jinwoos0417, @wewantsj
Code and camera-ready version will be available soon.
Stay tuned! @NeurIPSConf