Biological Classification on MoleculeNet
73.8BBBP ScoreBiScale-GTR (Fragment)
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| BiScale-GTR (Fragment)Pretrain Data Size=430k2026.04 | 73.8 | 73.1 | 74.7 | 83.8 | 63.9 | 60.1 | 77.9 | |
| GraphGPS+LACPretrain Data Size=–2026.04 | 73.6 | 74 | 71.3 | 82.5 | 73.7 | 60.4 | 77.6 | |
| SimSGTPretrain Data Size=2M2026.04 | 72.2 | 76.8 | 81.4 | 84.3 | 65.9 | 61.7 | 78 | |
| GraphFPPretrain Data Size=430k2026.04 | 72 | 74 | 75.4 | 80.5 | 63.9 | 63.6 | 78 | |
| Mole-BERTPretrain Data Size=2M2026.04 | 71.9 | 76.8 | 78.9 | 80.8 | 64.3 | 62.8 | 78.2 | |
| MOREPretrain Data Size=2M2026.04 | 71.9 | 75.6 | — | 82.8 | 64.6 | 60.9 | 77 | |
| GraphMAEPretrain Data Size=2M2026.04 | 71.2 | 75.2 | 76.4 | 78.2 | 63.6 | 60.5 | 76.8 | |
| GraphMVPPretrain Data Size=50k2026.04 | 70.8 | 74.9 | 77.7 | 79.3 | 63.1 | 60.2 | 76 | |
| BiScale-GTR (Molecule)Pretrain Data Size=430k2026.04 | 68.4 | 76.1 | 81.6 | 85 | 62.2 | 64.2 | 79.2 |