Molecular Docking on PoseBusters v2
87Top-1 & PB-Valid (%)SIGMADOCK
Evaluation results
| Method | Links | |
|---|---|---|
| SIGMADOCKSeq. Similarity (%)=[95, 100], Train-test split stratification=AF3 train-test splits2025.11 | 87 | |
| AF3Seq. Similarity (%)=[0, 30), Train-test split stratification=AF3 train-test splits2025.11 | 87 | |
| AF3Seq. Similarity (%)=[30, 95), Train-test split stratification=AF3 train-test splits2025.11 | 82 | |
| AF3Seq. Similarity (%)=Total / Avg, Train-test split stratification=AF3 train-test splits2025.11 | 80.2 | |
| SIGMADOCKSeq. Similarity (%)=Total / Avg, Train-test split stratification=AF3 train-test splits2025.11 | 79.9 | |
| SIGMADOCKSeq. Similarity (%)=[30, 95), Train-test split stratification=AF3 train-test splits2025.11 | 79 | |
| AF3Seq. Similarity (%)=[95, 100], Train-test split stratification=AF3 train-test splits2025.11 | 78 | |
| SIGMADOCKSeq. Similarity (%)=[0, 30), Train-test split stratification=AF3 train-test splits2025.11 | 72 |