Molecular Property Prediction on SIDER (test)
0.807ROC-AUCMGSSL (BFS)
Evaluation Results
| Method | Links | |
|---|---|---|
| MGSSL (BFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.807 | |
| MGSSL (DFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.797 | |
| Attribute maskingBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.775 | |
| GroverBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.769 | |
| GPT-GNNBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.749 | |
| GCCBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.732 | |
| InfomaxBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.73 | |
| GPFPre-training Strategy=AttrMasking2022.09 | 0.6913 | |
| SUPThardPre-training Strategy=AttrMasking2024.02 | 0.6882 | |
| SUPTsoftPre-training Strategy=AttrMasking2024.02 | 0.6868 | |
| GPF-plusPre-training Strategy=AttrMasking2022.09 | 0.6865 | |
| GPF-plusPre-training Strategy=AttrMasking2024.02 | 0.6853 | |
| GPFPre-training Strategy=AttrMasking2024.02 | 0.6819 | |
| GPF-plusPre-training Strategy=EdgePred2022.09 | 0.6751 | |
| GPFPre-training Strategy=EdgePred2022.09 | 0.672 | |
| SUPTsoftPre-training Strategy=EdgePred2024.02 | 0.6695 | |
| GPF-plusPre-training Strategy=ContextPred2022.09 | 0.6694 | |
| SUPThardPre-training Strategy=EdgePred2024.02 | 0.6685 | |
| FTPre-training Strategy=AttrMasking2022.09 | 0.6677 | |
| FTPre-training Strategy=AttrMasking2024.02 | 0.6677 | |
| GPFPre-training Strategy=EdgePred2024.02 | 0.6671 | |
| GPF-plusPre-training Strategy=EdgePred2024.02 | 0.6661 | |
| SUPTsoftPre-training Strategy=ContextPred2024.02 | 0.6648 | |
| SUPThardPre-training Strategy=ContextPred2024.02 | 0.6637 | |
| GPF-plusPre-training Strategy=ContextPred2024.02 | 0.6632 | |
| GPFPre-training Strategy=ContextPred2022.09 | 0.6618 | |
| GPFPre-training Strategy=Infomax2022.09 | 0.6617 | |
| GPF-plusPre-training Strategy=Infomax2024.02 | 0.6589 | |
| SUPTsoftPre-training Strategy=Infomax2024.02 | 0.6588 | |
| SUPThardPre-training Strategy=Infomax2024.02 | 0.6578 | |
| GPFPre-training Strategy=Infomax2024.02 | 0.6564 | |
| GPF-plusPre-training Strategy=Infomax2022.09 | 0.6562 | |
| GPFPre-training Strategy=ContextPred2024.02 | 0.6531 | |
| FTPre-training Strategy=ContextPred2022.09 | 0.6445 | |
| FTPre-training Strategy=ContextPred2024.02 | 0.6445 | |
| FTPre-training Strategy=EdgePred2022.09 | 0.6435 | |
| FTPre-training Strategy=EdgePred2024.02 | 0.6435 | |
| GIT-MolInput Modality=Graph + SMILES2023.08 | 0.634 | |
| FTPre-training Strategy=Infomax2022.09 | 0.6334 | |
| FTPre-training Strategy=Infomax2024.02 | 0.6334 | |
| MoleBERT+RWSEBackbone=MoleBERT, SE=RWSE2025.04 | 0.631 | |
| MoleBERT+GFSEBackbone=MoleBERT, SE=GFSE2025.04 | 0.631 | |
| SUPTsoftPre-training Strategy=GCL2024.02 | 0.6284 | |
| Mole-BERT2023.08 | 0.628 | |
| MoleBERTBackbone=MoleBERT, Training=Pre-trained2025.04 | 0.628 | |
| SUPThardPre-training Strategy=GCL2024.02 | 0.6251 | |
| GPF-plusPre-training Strategy=GCL2022.09 | 0.6237 | |
| GraphMAE+GFSEBackbone=GraphMAE, SE=GFSE2025.04 | 0.621 | |
| GPS+GFSEBackbone=GPS, SE=GFSE2025.04 | 0.618 | |
| SSP2025.04 | 0.617 | |
| GPF-plusPre-training Strategy=GCL2024.02 | 0.6157 | |
| GPFPre-training Strategy=GCL2022.09 | 0.6126 | |
| GraphLoG2025.04 | 0.612 | |
| GPFPre-training Strategy=GCL2024.02 | 0.61 | |
| GPPT (w/o ol)Pre-training Strategy=EdgePred2022.09 | 0.6094 | |
| GPPTw/o olPre-training Strategy=EdgePred2024.02 | 0.6094 | |
| GINE+GFSEBackbone=GINE, SE=GFSE2025.04 | 0.609 | |
| GraphCL2025.04 | 0.608 | |
| FTPre-training Strategy=GCL2022.09 | 0.6063 | |
| FTPre-training Strategy=GCL2024.02 | 0.6063 | |
| MoMu2023.08 | 0.605 | |
| GPS+LapPEBackbone=GPS, SE=LapPE2025.04 | 0.605 | |
| GraphMAE+RWSEBackbone=GraphMAE, SE=RWSE2025.04 | 0.605 | |
| GraphMVP2023.08 | 0.602 | |
| GIT-MolInput Modality=SMILES2023.08 | 0.601 | |
| GINE+GPSEBackbone=GINE, SE=GPSE2025.04 | 0.601 | |
| KV-PLM2023.08 | 0.598 | |
| GraphCL2023.08 | 0.598 | |
| GraphMAEBackbone=GraphMAE, Training=Pre-trained2025.04 | 0.598 | |
| GraphPromptPre-training Strategy=EdgePred2022.09 | 0.5871 | |
| GraphPromptPre-training Strategy=EdgePred2024.02 | 0.5871 | |
| GINEBackbone=GINE, Training=from-scratch2025.04 | 0.586 | |
| GPSBackbone=GPS, Training=from-scratch2025.04 | 0.586 | |
| GINE+RWSEBackbone=GINE, SE=RWSE2025.04 | 0.584 | |
| No pretrainBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 0.582 | |
| GIT-MolInput Modality=Graph2023.08 | 0.582 | |
| GINE+LapPEBackbone=GINE, SE=LapPE2025.04 | 0.572 | |
| GPS+GPSEBackbone=GPS, SE=GPSE2025.04 | 0.566 | |
| GPS+RWSEBackbone=GPS, SE=RWSE2025.04 | 0.564 | |
| GPPTPre-training Strategy=EdgePred2022.09 | 0.5486 | |
| GPPTPre-training Strategy=EdgePred2024.02 | 0.5486 |