Enzyme-Substrate Binding Prediction on EnzyGen Evaluation Set (top-5 candidate)
97EC 1.1.1 PerformanceEnzyGen
Evaluation results
| Method | Links | ||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| EnzyGenTop-k candidates=52024.05 | 97 | — | 95 | 100 | 66 | 100 | 100 | 100 | 99 | 97 | 100 | 99 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 94 | 88 | 100 | 98 | 34 | 99 | 100 | 78 | 99 | 100 | 99 | |
| PROTSEEDTop-k candidates=52024.05 | 94 | — | 85 | 67 | 41 | 98 | 89 | 99 | 93 | 80 | 98 | 98 | 98 | 98 | 99 | 99 | 95 | 98 | 78 | 91 | 97 | 92 | 81 | 98 | 85 | 20 | 50 | 97 | 39 | 91 | 99 | 96 | |
| ESM2+EGNNTop-k candidates=52024.05 | 94 | — | 92 | 97 | 65 | 97 | 97 | 97 | 96 | 96 | 97 | 96 | 97 | 97 | 98 | 98 | 97 | 97 | 97 | 92 | 93 | 91 | 87 | 97 | 92 | 32 | 96 | 97 | 79 | 91 | 98 | 97 | |
| RFDiffusion+IFTop-k candidates=5, Inverse folding model (IF)=ProteinMPNN2024.05 | 77 | — | 77 | 95 | 54 | 52 | 85 | 62 | 64 | 63 | 77 | 75 | 86 | 75 | 56 | 93 | 95 | 88 | 57 | 89 | 95 | 70 | 95 | 59 | 76 | 58 | 85 | 83 | 84 | 91 | 95 | 81 |