Molecular property prediction on MoleculeNet ESOL (test)
0.788RMSE3D molecular representation
Evaluation Results
| Method | Links | |
|---|---|---|
| 3D molecular representationModel=Uni-Mol2026.05 | 0.788 | |
| DARModel=Qwen3-4B2026.05 | 0.871 | |
| Graph attentionModel=AttentiveFP2026.05 | 0.877 | |
| MSEModel=Qwen3-4B2026.05 | 0.878 | |
| SFTModel=Qwen3-4B2026.05 | 0.881 | |
| Value HeadModel=Qwen3-4B2026.05 | 0.893 | |
| GNNModel=D-MPNN2026.05 | 1.05 | |
| Molecular LLMModel=LlaSMol2026.05 | 1.15 | |
| ICLModel=Qwen3-30B-A3B2026.05 | 1.886 | |
| Chemical LLMModel=ChemLLM2026.05 | 1.946 | |
| ICLModel=Qwen3-4B2026.05 | 2.133 | |
| Molecular instructionModel=Mol-Instructions2026.05 | 2.271 |