3D Coordinate Generation from SMILES on SpecMol-Bench SMILES-to-3D
0.8968ValiditySpecMol
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| SpecMolParameters=7B2025.09 | 0.8968 | 2.88 | 0.994 | 58.2 | |
| GPT-52025.09 | 0.695 | 0.224 | 0.217 | 31.4 | |
| Gemini-2.5-Flash2025.09 | 0.64 | 5.672 | 2.27 | 30.4 | |
| o3-mini2025.09 | 0.455 | 1.825 | 2.175 | 35.6 | |
| KIMI-K22025.09 | 0.22 | 0 | 0 | 31.5 | |
| Deepseek-V3Parameters=685B2025.09 | 0.165 | 8.941 | 0.151 | 15.2 |