Molecule Retrieval From Ms Ms Spectrum On
Metrics
Hit rate @ 1
Hit rate @ 20
Hit rate @ 5
MCES @ 1
Results
Performance results of various models on this benchmark
Model Name | Hit rate @ 1 | Hit rate @ 20 | Hit rate @ 5 | MCES @ 1 | Paper Title | Repository |
|---|---|---|---|---|---|---|
| DeepSets + Fourier features | 5.24 | 28.21 | 12.58 | 22.13 | MassSpecGym: A benchmark for the discovery and identification of molecules | |
| Fingerprint FFN | 2.54 | 20.00 | 7.59 | 24.66 | MassSpecGym: A benchmark for the discovery and identification of molecules | |
| MIST | 14.64 | 59.15 | 34.87 | 15.37 | MassSpecGym: A benchmark for the discovery and identification of molecules | |
| DeepSets | 1.47 | 19.23 | 6.21 | 25.11 | MassSpecGym: A benchmark for the discovery and identification of molecules | |
| Random | 0.37 | 8.22 | 2.01 | 30.81 | MassSpecGym: A benchmark for the discovery and identification of molecules |
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