Exfoliation Energy Prediction on Matbench JDFT2D v1.2 (67/33)
95.4766RMSECGCNN
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| CGCNNRepresentation=Graph2024.09 | 95.4766 | 36.1698 | |
| MODNet (v0.1.12)Representation=Graph2024.09 | 96.7332 | 33.1918 | |
| SchNetRepresentation=Graph2024.09 | 111.0187 | 42.6637 | |
| DeeperGATGNN (v0.1.12)Representation=Graph2024.09 | 113.4192 | 45.4611 | |
| ALIGNNRepresentation=Graph2024.09 | 117.4213 | 43.4244 | |
| GP + TanimotoRepresentation=Fast Complexes2024.09 | 117.5536 | 60.8629 | |
| GP + TanimotoRepresentation=Deep Complexes2024.09 | 117.7818 | 60.8381 | |
| CrabNetRepresentation=Graph2024.09 | 120.0088 | 45.6104 | |
| Finder_v1.2 (structure-based)Representation=Graph2024.09 | 120.0917 | 46.1339 | |
| MegNetRepresentation=Graph2024.09 | 129.3267 | 54.1719 |