De novo molecule generation from MS/MS spectrum on MassSpecGym
Metric: Top-1 MCES (higher is better)
LeaderboardDataset
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Results
Submit a result| # | Model↕ | Top-1 MCES▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | SMILES Transformer | 53.8 | No | MassSpecGym: A benchmark for the discovery and i... | 2024-10-30 | Code |
| 2 | SELFIES Transformer | 33.28 | No | MassSpecGym: A benchmark for the discovery and i... | 2024-10-30 | Code |
| 3 | Random chemical generation | 28.59 | No | MassSpecGym: A benchmark for the discovery and i... | 2024-10-30 | Code |