Enzyme-to-Reaction Retrieval on ReactZyme (Enzyme Similarity-based Split)
93.1Hit@1TIGER
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| TIGERText source=ESM2Text2026.05 | 93.1 | 95.6 | |
| TIGERText source=ProtT32026.05 | 90.8 | 94 | |
| Bi-RNNEncoder=MAT-2D + ESM2026.05 | 81.5 | 88.6 | |
| Bi-RNNEncoder=UniMol-3D + ESM2026.05 | 81.1 | 87.5 | |
| CLIPZymeEncoder=UniMol-3D + ESM2026.05 | 75.5 | 85.5 | |
| ReactZymeEncoder=UniMol-3D + ESM2026.05 | 72.7 | 81.1 | |
| GNNEncoder=UniMol-3D + ESM2026.05 | 71.1 | 80.2 | |
| GNNEncoder=UniMol-3D + SaProt2026.05 | 63.3 | 74.6 | |
| ReactZymeEncoder=UniMol-3D + SaProt2026.05 | 60 | 72.3 | |
| ReactZymeEncoder=MAT-2D + ESM2026.05 | 59.9 | 72.8 | |
| Fingerprint2026.05 | 57.9 | 63.9 | |
| CLIPZymeEncoder=MAT-2D + ESM2026.05 | 54.9 | 69.7 | |
| TIGERText source=ESM2Text2026.05 | 41.6 | 51.8 | |
| TIGERText source=ProtT32026.05 | 38.6 | 47.2 | |
| CLIPZymeEncoder=UniMol-3D + ESM2026.05 | 13.1 | 19.4 | |
| CLIPZymeEncoder=MAT-2D + ESM2026.05 | 12.4 | 22 | |
| Bi-RNNEncoder=MAT-2D + ESM2026.05 | 11.8 | 24 | |
| GNNEncoder=UniMol-3D + ESM2026.05 | 11 | 20.1 | |
| ReactZymeEncoder=MAT-2D + ESM2026.05 | 10.9 | 19.9 | |
| Bi-RNNEncoder=UniMol-3D + ESM2026.05 | 10.9 | 19.7 | |
| GNNEncoder=UniMol-3D + SaProt2026.05 | 9.6 | 19.7 | |
| ReactZymeEncoder=UniMol-3D + SaProt2026.05 | 9.4 | 19.4 | |
| Fingerprint2026.05 | 9.4 | 19.4 | |
| ReactZymeEncoder=UniMol-3D + ESM2026.05 | 9.1 | 20.1 |