
Protein Binding Site Prediction: ScanNet vs MaSIF
Protein binding site prediction benchmarked on 223 Docking Benchmark 5.5 complexes: 96.4% Top-3 patch hit rate and 0.853 AUC on 42 held-out complexes.
WeaveSeq Engineering Division: protein binders, hotspot selection, interface design, assay development, and diagnostic translation, built on AffiniBind™.
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Built on 3,414 literature designs and tested on 1,880 it had never seen: sorting by WeaveRank puts a median four binders in the top 10, 1.6× the target's own base rate.
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Protein binding site prediction benchmarked on 223 Docking Benchmark 5.5 complexes: 96.4% Top-3 patch hit rate and 0.853 AUC on 42 held-out complexes.
A ligand-conditioned design campaign against perfluorobutanesulfonamide generated 195 binder candidates, with a top docking score of -7.74 kcal/mol and a target QED of 0.806.
A ligand-conditioned binder campaign against GenX (HFPO-DA) generated 170 candidates, with a top docking score of -7.84 kcal/mol and a target QED of 0.806.
A full AffiniBind campaign against perfluorononanoic acid generated 194 binder candidates, with the top design reaching a docking score of -9.50 kcal/mol and a generator confidence of 0.9549.
A ligand-conditioned design campaign targeting perfluorooctanoic acid produced 187 candidate binders, with the top-ranked design reaching a docking score of -8.26 kcal/mol and a generator confidence of 0.902.
A ligand-conditioned binder design campaign targeting perfluorooctanesulfonic acid (PFOS) generated 185 candidates, with docking scores reaching -10.04 kcal/mol and a top generator confidence score of 0.8812.
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WeaveRank Validation Across 1,880 Literature Designs