Today at 11am I’ll present some of the exciting work in AI x Bio we’ve been up to at @Latent_Labs at the @RenPhilanthropy booth (Hall A/B, booth 1343 @NeurIPSConf - straight through the entrance at the back left). Come say hi!

Congratulations David! This picture was taken just 10 days before he got the @NobelPrize - I’m glad I got this one signed 😅 — I’ve never seen a lab like the @UWproteindesign Such an inspiring place ✨ And congratulations of course also to John Jumper and Demis Hassabis!

Come with us about enzyme engineering with AI and ultra high throughput screening at our poster at @gembioworkshop at #ICLR2024 with @MaxGantz_

Conditioning diffusion-based generative models for motif scaffolding? Come check out our talk at 11.05 in Room 242 at @AI4D3, or visit our poster in the break. @DidiKieran Francisco Vargas @vdutor @MathieuEmile @julia_tweeting_

Complementary to PoseChecker, my friend Martin Buttenschön released “PoseBusters” — where he critically examines the outputs of AI small-molecule docking models! Super insightful- also highly recommend a read! (Plus what an awesome name 👻) arxiv.org/abs/2308.05777

Enjoying @icml_compbio in Hawaii 🌺 with @antonia_boca, a fantastic Master’s student in our lab! She has a poster on her super cool work on protein engineering, so come check it out! 👀 – at Honolulu, HI

12/11 Some nitty-gritty details for those who stayed till the end of this thread 😉 GWL focuses on models which adhere to a "reference-free" approach. I.e. GNNs with local message passing that does not fix a canonical frame for the full graph or for each neighbourhood.

🥳 Thank you to all who made this paper possible @chaitjo @crisbodnar @TacoCohen @pl219_Cambridge and @chaitjo for assembling this great team! It was an insightful and fun journey!

11/11 In summary, we can place various models on the map of these 3 key design choices, allowing us to better understand what a given geometric GNN can or cannot do. For details: Paper (arxiv.org/abs/2301.09308), Github (github.com/chaitjo/geometric…), Talk (youtube.com/watch?v=OutT6qGs…)