Molecular Property Prediction on FreeSolv MoleculeNet (RMSE)
1.48RMSEUni-Mol
Evaluation Results
| Method | Links | |
|---|---|---|
| Uni-MolPre-training status=W. pre-training2026.02 | 1.48 | |
| 3D molecular representationModel=Uni-Mol2026.05 | 1.48 | |
| Attentive FPPre-training status=W/o. pre-training2026.02 | 2.073 | |
| Graph attentionModel=AttentiveFP2026.05 | 2.073 | |
| D-MPNNPre-training status=W/o. pre-training2026.02 | 2.082 | |
| GNNModel=D-MPNN2026.05 | 2.082 | |
| DARModel=Qwen3-4B2026.05 | 2.36 | |
| ChiDeKPre-training status=W/o. pre-training2026.02 | 2.412 | |
| MSEModel=Qwen3-4B2026.05 | 2.561 | |
| SFTModel=Qwen3-4B2026.05 | 2.755 | |
| PretrainGNNPre-training status=W. pre-training2026.02 | 2.764 | |
| Value HeadModel=Qwen3-4B2026.05 | 3.46 | |
| ICLModel=Qwen3-30B-A3B2026.05 | 4.16 | |
| ICLModel=Qwen3-4B2026.05 | 4.368 | |
| Molecular instructionModel=Mol-Instructions2026.05 | 6.891 | |
| Molecular LLMModel=LlaSMol2026.05 | 7.15 | |
| Chemical LLMModel=ChemLLM2026.05 | 10.452 |