Property Prediction (Regression) on MoleculeNet (ESOL, LIPO)
0.716Average Regression RMSEUni-Mol
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| Uni-MolModel Category=Task Specific, Non-LLM based, Fine-tuned=true2025.12 | 0.716 | 0.819 | 0.612 | |
| BioMedGPT-MolModel Category=Chemistry LLM2025.12 | 0.945 | 0.916 | 0.973 | |
| LlaSMolModel Category=Chemistry LLM2025.12 | 1.08 | 1.15 | 1.01 | |
| Claude3 OpusModel Category=General LLM2025.12 | 1.115 | 1.036 | 1.194 | |
| ChemLLMModel Category=Chemistry LLM2025.12 | 1.872 | 1.946 | 1.797 | |
| MolinstModel Category=Chemistry LLM2025.12 | 1.981 | 2.271 | 1.691 | |
| GPT-4Model Category=General LLM2025.12 | 2.058 | 2.57 | 1.545 | |
| GalacticaModel Category=General LLM2025.12 | 3.582 | 4.184 | 2.979 |