| { |
| "task": "pIC50 of a protein-ligand complex, regression", |
| "metric": "affinity_eval/{pdbbind,l3000}_{pearson,spearman}", |
| "protocol": "frozen encoder, protein mean-pool and ligand mean-pool concatenated, Linear(2D,D)-ReLU-Linear(D,1), z-scored label un-standardised at eval", |
| "encoders": null, |
| "encoders_note": "no controlled sweep on this eval set. Published reference points on the same task, for orientation only: Boltz-2 0.63 Pearson on LP-PDBbind, Gator Affinity 0.672", |
| "trivial_baseline": null, |
| "trivial_baseline_note": "two matter and neither is measured: ligand-only prediction (affinity_input=ligand), and ligand heavy-atom count, which correlates with affinity by itself" |
| } |
