Molecule Property Prediction on HIV MoleculeNet (test)
84.81AUROCHierarchical Inter-Message Passing
Evaluation results
| Method | Links | |
|---|---|---|
| Hierarchical Inter-Message Passinglayers=2 or 32020.06 | 84.81 | |
| GIN-E2020.06 | 83.83 | |
| RP-NGF2020.06 | 83.2 | |
| NGF2020.06 | 81.2 | |
| SMPT2026.04 | 81.2 | |
| BioT5Model Category=Single-task Specialist Models2024.02 | 81 | |
| SPD-Sheaf2026.04 | 80.9 | |
| Uni-MolModel Category=Single-task Specialist Models2024.02 | 80.8 | |
| Mol-GDL2026.04 | 80.8 | |
| Uni-Mol2026.04 | 80.8 | |
| MolCLRModel Category=Single-task Specialist Models2024.02 | 80.6 | |
| GEMModel Category=Single-task Specialist Models2024.02 | 80.6 | |
| GEM2026.04 | 80.6 | |
| PretrainGNN2026.04 | 79.9 | |
| MGSSLModel Category=Single-task Specialist Models2024.02 | 79.5 | |
| MolFMModel Category=Single-task Specialist Models2024.02 | 78.8 | |
| N-GramClassifier=XGB2026.04 | 78.7 | |
| GraphCLModel Category=Single-task Specialist Models2024.02 | 78.5 | |
| MolXPTModel Category=Single-task Specialist Models2024.02 | 78.1 | |
| MolCLR2026.04 | 78.1 | |
| N-GramClassifier=RF2026.04 | 77.2 | |
| D-MPNN2026.04 | 77.1 | |
| GraphMVP-CModel Category=Single-task Specialist Models2024.02 | 77 | |
| GraphMVP2026.04 | 77 | |
| BioT5+Model Category=LLM-based Generalist Models2024.02 | 76.3 | |
| MoMuModel Category=Single-task Specialist Models2024.02 | 75.9 | |
| Galactica-30BModel Category=LLM-based Generalist Models2024.02 | 75.9 | |
| AttentiveFP2026.04 | 75.7 | |
| Galactica-120BModel Category=LLM-based Generalist Models2024.02 | 74.5 | |
| InstructMol-G-6.9BModel Category=LLM-based Generalist Models2024.02 | 74 | |
| Galactica-6.7BModel Category=LLM-based Generalist Models2024.02 | 72.2 | |
| EGNN2026.04 | 70.4 | |
| InstructMol-GS-6.9BModel Category=LLM-based Generalist Models2024.02 | 68.9 | |
| KV-PLMModel Category=Single-task Specialist Models2024.02 | 68.8 | |
| SchNet2026.04 | 68.8 | |
| GROVEModel Variant=large2026.04 | 68.2 | |
| GROVEModel Variant=base2026.04 | 62.5 | |
| Llama-2-7B-chatModel Category=LLM-based Generalist Models, tuning=LoRA2024.02 | 62.3 | |
| Vicuna-v1.3-7BModel Category=LLM-based Generalist Models, tuning=LoRA2024.02 | 58.1 | |
| Vicuna-v1.5-13B-16kModel Category=LLM-based Generalist Models, Shot=4-shot2024.02 | 50.5 |