Molecular Property Classification on MoleculeNet (BBBP, BACE, ClinTox, SIDER, Tox21)
95.6BBBPMMGNN-3D
Evaluation Results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| MMGNN-3D2026.06 | 95.6 | 83 | 90.2 | 60.8 | 81.6 | 82.2 | |
| MMGNN-2D2026.06 | 95.5 | 87.7 | 91.3 | 62.4 | 82.3 | 83.8 | |
| GSL-MPP2026.06 | 93.9 | 85.8 | 82.8 | 64.8 | 80 | 81.5 | |
| CD-MVGNN2026.06 | 92.9 | 85.4 | 91.3 | 62.5 | 82.8 | 83 | |
| CMPNN2026.06 | 92.8 | 85.3 | 89.8 | 61.5 | 81 | 82 | |
| CoMPT2026.06 | 92.5 | 83.2 | 87.8 | 61.3 | 79.2 | 80.8 | |
| D-MPNN2026.06 | 89.8 | 85.2 | 86.8 | 61.8 | 82.2 | 81.2 | |
| MPNN2026.06 | 89.6 | 81.5 | 86.9 | 54.5 | 76.8 | 77.9 | |
| AttentiveFP2026.06 | 87.8 | 79.3 | 89.9 | 59.3 | 77.4 | 78.7 | |
| SchNet2026.06 | 84.7 | 75 | 71.7 | 54.5 | 72.7 | 71.7 | |
| GAT2026.06 | 84.6 | 82.2 | 85 | 52.8 | 74.1 | 75.7 | |
| Weave2026.06 | 83.7 | 79.1 | 82.3 | 54.3 | 73.1 | 74.5 | |
| GCN2026.06 | 81.3 | 81.3 | 85.5 | 59.8 | 77.9 | 77.2 |