Binary Classification on MoleculeNet HIV DeepChem (test)
0.814ROC-AUCDMP_TF+GNN
Evaluation Results
| Method | Links | |
|---|---|---|
| DMP_TF+GNN2021.06 | 0.814 | |
| DMP_TF (100M)2021.06 | 0.811 | |
| DMP_TF2021.06 | 0.81 | |
| MolCLR2021.06 | 0.806 | |
| Graphormer-FLAG#param.=47.0M2021.06 | 0.8051 | |
| TF (x2)2021.06 | 0.804 | |
| DMP_GNN (100M)2021.06 | 0.803 | |
| Hu et al.2021.06 | 0.802 | |
| TF (MLM)2021.06 | 0.802 | |
| TF (MLM) + GNN (MLM)2021.06 | 0.801 | |
| DGN#param.=114K2021.06 | 0.797 | |
| DMP_GNN2021.06 | 0.795 | |
| DeeperGCN-FLAG#param.=532K2021.06 | 0.7942 | |
| PHC-GNN#param.=111K2021.06 | 0.7934 | |
| SVM2021.06 | 0.792 | |
| GNN (x2)2021.06 | 0.792 | |
| DMP_TF w/o MLM2021.06 | 0.791 | |
| PNA#param.=326K2021.06 | 0.7905 | |
| GCN-GraphNorm#param.=526K2021.06 | 0.7883 | |
| GNN (MLM)2021.06 | 0.785 | |
| RF2021.06 | 0.781 | |
| GIN-VN#param.=3.3M, fine-tune=true2021.06 | 0.778 | |
| D-MPNN2021.06 | 0.75 | |
| MGCN2021.06 | 0.738 | |
| MGSSL (BFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.618 | |
| GroverBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.607 | |
| MGSSL (DFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.605 | |
| Attribute maskingBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.596 | |
| GPT-GNNBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.593 | |
| InfomaxBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.582 | |
| GCCBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.58 | |
| No pretrainBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.572 |