Molecular Property Prediction on HIV
79.88ROC AUCGMCL
Evaluation Results
| Method | Links | |
|---|---|---|
| GMCLModel=GMCL2026.04 | 79.88 | |
| GraphCLPre-training dataset=ZINC15, Protocol=Fine-tuning2022.05 | 78.5 | |
| CHCLModel=CHCL2026.04 | 78.5 | |
| GraphCLModel=GraphCL2026.04 | 78.47 | |
| AutoGCLModel=AutoGCL2026.04 | 78.35 | |
| AD-GCLModel=AD-GCL2026.04 | 78.28 | |
| GraphLoGPre-training dataset=ZINC15, Protocol=Fine-tuning2022.05 | 77.8 | |
| MolCLRCMPNNModel Type=Graph-based2026.06 | 77.8 | |
| MolCLRGINModel Type=Graph-based2026.06 | 77.6 | |
| ContextPredPre-training dataset=ZINC15, Protocol=Fine-tuning2022.05 | 77.3 | |
| ContextPredModel=ContextPred2026.04 | 77.3 | |
| AttrMaskingPre-training dataset=ZINC15, Protocol=Fine-tuning2022.05 | 77.2 | |
| GraphMAEPre-training dataset=ZINC15, Protocol=Fine-tuning2022.05 | 77.2 | |
| AttrMaskingModel=AttrMasking2026.04 | 77.2 | |
| MolCLRGCNModel Type=Graph-based2026.06 | 76.8 | |
| JOAOModel=JOAO2026.04 | 76.73 | |
| JOAOPre-training dataset=ZINC15, Protocol=Fine-tuning2022.05 | 76.7 | |
| EdgePredModel=EdgePred2026.04 | 76.3 | |
| InfomaxPre-training dataset=ZINC15, Protocol=Fine-tuning2022.05 | 76 | |
| InfomaxModel=Infomax2026.04 | 76 | |
| GCNType=Graph-based / Full Supervision2026.07 | 75.7 | |
| No-pretrainPre-training dataset=None, Protocol=Supervised2022.05 | 75.4 | |
| No PretrainModel=No Pretrain2026.04 | 75.3 | |
| GINType=Graph-based / Full Supervision2026.07 | 75.3 | |
| GraphormerType=Graph-based / Full Supervision2026.07 | 74.5 | |
| Qwen34B-InstStrategy=+MOLE-RAG2026.06 | 73.5 | |
| GATType=Graph-based / Full Supervision2026.07 | 72.9 | |
| ChemDFM14BStrategy=+MOLE-RAG2026.06 | 69.2 | |
| GROVERModel Type=Graph-based2026.06 | 67.5 | |
| MolBasicShot=1-shot2026.07 | 66.4 | |
| GIMLETType=Pre-training2026.07 | 66.2 | |
| MolBasicShot=4-shot2026.07 | 65.9 | |
| MolBasicShot=2-shot2026.07 | 65.4 | |
| GPT-4oStrategy=+MOLE-RAG2026.06 | 65.1 | |
| Mistral7B-InstStrategy=+MOLE-RAG2026.06 | 62.4 | |
| GPT-4o-miniStrategy=+MOLE-RAG2026.06 | 61.3 | |
| KVPLMType=Pre-training2026.07 | 61.2 | |
| GPT-4o-miniStrategy=Baseline2026.06 | 60 | |
| MolRAGShot=4-shot2026.07 | 59.5 | |
| Llama3.2-3BStrategy=+MOLE-RAG2026.06 | 58.7 | |
| MolRAGShot=2-shot2026.07 | 56.8 | |
| ChemDFM14BStrategy=Baseline2026.06 | 55.2 | |
| MolRAGShot=1-shot2026.07 | 54.3 | |
| Qwen34B-InstStrategy=Baseline2026.06 | 53.3 | |
| Llama3.2-3BStrategy=Baseline2026.06 | 51.8 | |
| MolRAGShot=0-shot2026.07 | 51.4 | |
| GPT-4oStrategy=Baseline2026.06 | 50.5 | |
| MoMuType=Pre-training2026.07 | 50.3 | |
| MolBasicShot=0-shot2026.07 | 49.9 | |
| Mistral7B-InstStrategy=Baseline2026.06 | 45.9 | |
| Galactica-1.3BType=Pre-training2026.07 | 33.9 |