Metric: Top-10 Accuracy (higher is better)
| # | Model↕ | Top-10 Accuracy▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | DiffMS | 4.25 | Yes | DiffMS: Diffusion Generation of Molecules Condit... | 2025-02-13 | Code |
| 2 | Madgen | 1.54 | No | MADGEN: Mass-Spec attends to De Novo Molecular g... | 2025-01-03 | Code |
| 3 | Random chemical generation | 0 | No | - | - | Code |
| 4 | MIST + Neuraldecipher | 0 | Yes | - | - | - |
| 5 | Spec2Mol | 0 | No | - | - | Code |
| 6 | SELFIES Transformer | 0 | No | - | - | Code |
| 7 | MIST + MSNovelist | 0 | Yes | - | - | - |
| 8 | Spec2Mol | 0 | No | - | - | Code |
| 9 | SMILES Transformer | 0 | No | - | - | Code |