A few interesting things:
Exploration was partly hard-coded: ≥50 backbones from each of 7 generators, and the final 30 had to span ≥3 methods
Claude’s final ranking was extremely correlated with the co-folding score (ρ=.86) and didn’t outperform it (AP .48 vs .52).
tl;dr
Many drugs work by binding to a specific target in the body and blocking or changing what it does. An important first step in the drug development process is designing a molecule that can bind tightly to its target. Traditionally, that's meant weeks or months of expert work per
