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ResearchFormerly WizWand

Binding affinity prediction on MISATO (sequence split)

0.466R^2AminoAseed
0.3620.3890.4160.443May 13, 2026
Updated 5mo ago

Evaluation results

MethodLinks
AminoAseedligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.4660.6712.121
ESM3structligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.4640.6532.129
Vote_3Diligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.4550.6562.168
ENSEMBITSP=full, ligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.4510.652.183
ENSEMBITSP=1, ligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.4450.6542.207
3Di_tokensligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.4370.6442.236
aaligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.4240.6592.401
ProtProfileMDK=8, ligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.3920.6192.418
ProTokenligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.3860.6112.438
Randomligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.050.3660.5952.52