Diffusing the Periodic Table: How Hierarchy Fixes Molecular AI
Opening — Why This Matters Now Drug discovery is not suffering from a shortage of molecules. It is suffering from a shortage of valid ones. Generative AI has flooded chemistry with candidate structures, yet the quiet bottleneck remains chemical validity. One misplaced proton. One impossible valence. One aromatic nitrogen that refuses to be what the model thinks it is. The molecule collapses. ...