Molecular Property Prediction on QM9 scaffold similarity-based partitioning (test)
0.0083HOMOGROVER
Evaluation results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| GROVERVariant=large2024.06 | 0.0083 | 0.0083 | 0.0083 | 2.24 | 0.853 | 0.623 | 85.85 | 0.0038 | — | — | |
| GROVERVariant=base2024.06 | 0.0079 | 0.0079 | 0.0079 | 2.365 | 1.103 | 0.618 | 113.01 | 0.0035 | — | — | |
| GEM2024.06 | 0.0067 | 0.0067 | 0.0067 | 0.589 | 0.237 | 0.444 | 25.67 | 0.0011 | — | — | |
| Uni-Mol2024.06 | 0.0043 | 0.0043 | 0.0043 | 0.363 | 0.183 | 0.155 | 4.805 | 0.0011 | — | — | |
| Uni-Mol2Number of Parameters=84M2024.06 | 0.0038 | 0.0038 | 0.0038 | 0.376 | 0.178 | 0.105 | 4.968 | 0.001 | — | — | |
| Uni-Mol2Number of Parameters=164M2024.06 | 0.0036 | 0.0036 | 0.0036 | 0.325 | 0.157 | 0.093 | 4.935 | 0.0005 | — | — | |
| Uni-Mol2Number of Parameters=310M2024.06 | 0.0036 | 0.0036 | 0.0036 | 0.315 | 0.143 | 0.092 | 4.672 | 0.0005 | — | — | |
| Uni-Mol2Number of Parameters=570M2024.06 | 0.0036 | 0.0036 | 0.0036 | 0.315 | 0.147 | 0.089 | 4.523 | 0.0005 | — | — | |
| Uni-Mol2Number of Parameters=1.1B2024.06 | 0.0035 | 0.0035 | 0.0035 | 0.305 | 0.144 | 0.089 | 4.265 | 0.0005 | — | — | |
| GATE2025.06 | — | — | — | — | — | — | — | — | 0.6939 | 0.0996 | |
| GATE2025.06 | — | — | — | — | — | — | — | — | 0.4395 | 0.0108 | |
| GEAR2025.06 | — | — | — | — | — | — | — | — | 0.6101 | 0.021 | |
| GEAR2025.06 | — | — | — | — | — | — | — | — | 0.4261 | 0.0017 | |
| MTL2025.06 | — | — | — | — | — | — | — | — | 0.6465 | 0.0776 | |
| MTL2025.06 | — | — | — | — | — | — | — | — | 0.4849 | 0.0061 | |
| STL2025.06 | — | — | — | — | — | — | — | — | 0.6744 | 0.1079 | |
| STL2025.06 | — | — | — | — | — | — | — | — | 0.4477 | 0.0052 |