Iso Shows Drug-Design Agent Visualized via Attention Heatmap Over Chemical Space
CatAstro_Piyush · x · 2026-10-01
Max Jaderberg of Iso posted a visualization of IsoDDE, the generative design agent his team uses daily.
- IsoDDE takes the goals of drug designers and autonomously produces a set of Pareto-best molecules;
- The video renders the agent's attention as a heatmap over chemical space (visualized here with UMAP), showing how it balances exploration vs. exploitation to find the best molecules (greener = better);
- He pulls out a single Pareto-best molecule as an example and says a later video will show how this runs at scale.
The reposter's comment: "so cool."
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