Molecular Property Regression on QM9 (Full End-to-End Fine-Tuning)
0.444MUGEM
Evaluation results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| GEMProtocol=Full end-to-end fine-tuning2025.09 | 0.444 | 0.589 | — | — | — | 25.67 | 0.237 | 0.0011 | |
| UNIMOL (1)Protocol=Full end-to-end fine-tuning2025.09 | 0.155 | 0.363 | — | — | — | 4.805 | 0.183 | 0.0011 | |
| UNIMOL2 310MModel scale=310M, Protocol=Full end-to-end fine-tuning2025.09 | 0.092 | 0.315 | — | — | — | 4.672 | 0.143 | 0.0005 | |
| UNIMOL2 1.1BModel scale=1.1B, Protocol=Full end-to-end fine-tuning2025.09 | 0.089 | 0.305 | — | — | — | 4.265 | 0.144 | 0.0005 | |
| C-FREE3D-MURCKOModality=3D, Pretraining strategy=Murcko segments2025.09 | 0.077 | 0.124 | — | — | — | 1.135 | 0.052 | 0.004 | |
| C-FREE3D-EGOModality=3D, Pretraining strategy=EgoNets2025.09 | 0.064 | 0.116 | — | — | — | 1.155 | 0.049 | 0.0061 | |
| C-FREEMMModality=Multimodal2025.09 | 0.057 | 0.107 | — | — | — | 1.214 | 0.044 | 0.0043 | |
| PAINN (RND)Initialization=Randomly initialized, Protocol=Full end-to-end fine-tuning2025.09 | 0.042 | 0.149 | — | — | — | 1.375 | 0.061 | 0.0122 |