De novo molecule generation on MassSpecGym
1Validity Rate
DiffMS
Updated 5mo ago
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
2025.02 | 1 | 0.1241 | 0.0378 | 0.3247 | 0.0673 | |
2025.02 | 0.9858 | 0.0066 | 0 | 0.0192 | 0 | |
2025.02 | 0.8178 | 0.0029 | 0.0001 | 0.0039 | 0.0009 | |
2025.02 | 0.685 | 0 | 0 | 0 | 0 |
DiffMS
| Method | Links | |||||
|---|---|---|---|---|---|---|
2025.02 | 1 | 0.1241 | 0.0378 | 0.3247 | 0.0673 | |
2025.02 | 0.9858 | 0.0066 | 0 | 0.0192 | 0 | |
2025.02 | 0.8178 | 0.0029 | 0.0001 | 0.0039 | 0.0009 | |
2025.02 | 0.685 | 0 | 0 | 0 | 0 |