Molecular Property Classification on MoleculeNet SIDER
0.784ROC-AUCLlaSMol
Evaluation Results
| Method | Links | |
|---|---|---|
| LlaSMolModel Category=Generalist, Official Checkpoint=true2025.02 | 0.784 | |
| Mol-LLMModel Category=Generalist2025.02 | 0.763 | |
| Mol-LLM (w/o Graph)Model Category=Generalist2025.02 | 0.761 | |
| MolXPTModel Category=Specialist2025.02 | 0.717 | |
| ChemRL-GEMFine-tuned=true2022.11 | 0.672 | |
| N-GramRFFine-tuned=true2022.11 | 0.668 | |
| N-GramXGBFine-tuned=true2022.11 | 0.655 | |
| MolFormerFine-tuned=true2022.11 | 0.655 | |
| SPMMPre-training=true, Fine-tuned=true2022.11 | 0.655 | |
| GROVER_largeFine-tuned=true2022.11 | 0.654 | |
| MolCAModel Category=Specialist2025.02 | 0.63 | |
| PretrainGNNFine-tuned=true2022.11 | 0.627 | |
| SPMM (w/o pre-train)Pre-training=false, Fine-tuned=true2022.11 | 0.571 | |
| D-MPNNFine-tuned=true2022.11 | 0.57 | |
| GalacticaModel Category=Generalist2025.02 | 0.559 | |
| BioT5+Model Category=Semi-Generalist, Training Task Group=Reg. & React., Official Checkpoint=true2025.02 | 0.525 | |
| ChemDFMModel Category=Generalist, Official Checkpoint=true2025.02 | 0.51 | |
| 3D-MOLMModel Category=Generalist, Official Checkpoint=true2025.02 | 0.497 | |
| Mol-InstructionsModel Category=Semi-Generalist, Official Checkpoint=true2025.02 | 0.482 | |
| BioT5+Model Category=Semi-Generalist, Training Task Group=Cls. & Trans., Official Checkpoint=true2025.02 | 0.437 | |
| GPT-4Model Category=Generalist, Evaluation Setup=zero-shot2025.02 | 0.405 |