PDBbind 5,327 Benchmark

Out-of-fold absolute-affinity validation from the locked 1056 product-mode CSV.

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R=0.731 on 5,327 complexes. Zero fitted parameters.

Predictions are out-of-fold rows from the locked 1056 product-mode CSV. Anchor-eligible complexes use the locked anchor formula; ineligible rows fall back to the V20 broad scorer.

Complexes
5,327
Pearson R
0.731
Spearman rho
0.736
MAE
1.41
Open Reproduce Page Download JSON

Predicted vs Experimental dG

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Anchor eligible V20 fallback

Panel Metrics

All values are computed from the same locked product-mode candidate.

Methodology

The displayed rows come from 1056_PRODUCT_MODE_ROWS.csv filtered to locked_1054_exact_csv_formula::with_V20_fallback and panel_eval=all5327. The page reports only aggregate benchmark values and row-level predictions; internal model details and derivation notes are intentionally not exposed.