Structure-Based Drug Design on Cross-Docked 2020 57 (test)
-11.867TOP-100 ScoreRGA
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| RGApre-training=true, training on different target proteins=true2022.11 | -11.867 | -12.564 | -12.869 | 100 | 85.7 | 74.2 | 2.473 | |
| RGA-pretrainpre-training=false2022.11 | -11.443 | -12.424 | -12.435 | 100 | 85.4 | 75 | 2.494 | |
| RGA-KTtraining on different target proteins=false2022.11 | -11.434 | -12.437 | -12.502 | 100 | 85.3 | 73.8 | 2.501 | |
| Autogrow 4.02022.11 | -11.371 | -12.213 | -12.474 | 100 | 85.2 | 74.8 | 2.497 | |
| Graph-GA2022.11 | -10.848 | -11.702 | -12.302 | 100 | 81.1 | 45.6 | 3.503 | |
| REINVENT2022.11 | -10.181 | -11.234 | -12.01 | 100 | 85.7 | 44.5 | 2.596 | |
| screening2022.11 | -9.351 | -10.433 | -11.4 | 0 | 85.8 | 67.8 | 2.689 | |
| JTVAE2022.11 | -9.291 | -10.242 | -10.963 | 98 | 86.7 | 59.3 | 3.222 | |
| RationaleRL2022.11 | -9.233 | -10.834 | -11.642 | 100 | 71.7 | 31.5 | 2.919 | |
| GEGL2022.11 | -9.064 | -9.91 | -10.45 | 100 | 85.3 | 64.3 | 2.99 | |
| Gen3D2022.11 | -8.686 | -9.285 | -9.832 | 100 | 87 | 70.1 | 3.45 | |
| MARS2022.11 | -7.758 | -8.875 | -9.257 | 100 | 87.7 | 70.9 | 2.45 | |
| GA+D2022.11 | -7.487 | -8.305 | -8.76 | 99.2 | 83.4 | 40.5 | 5.024 | |
| MolDQN2022.11 | -6.287 | -7.043 | -7.501 | 100 | 87.7 | 17 | 5.833 |