Ms Ms Spectrum Simulation On Massspecgym
评估指标
Cosine Similarity
Hit Rate @ 1
Hit Rate @ 20
Hit Rate @ 5
Jensen-Shannon Similarity
评测结果
各个模型在此基准测试上的表现结果
模型名称 | Cosine Similarity | Hit Rate @ 1 | Hit Rate @ 20 | Hit Rate @ 5 | Jensen-Shannon Similarity | Paper Title | Repository |
|---|---|---|---|---|---|---|---|
| GNN | 0.19 | 3.95 | 26.27 | 11.92 | 0.20 | MassSpecGym: A benchmark for the discovery and identification of molecules | |
| FFN Fingerprint | 0.25 | 8.44 | 38.57 | 21.43 | 0.24 | MassSpecGym: A benchmark for the discovery and identification of molecules | |
| Precursor m/z | 0.15 | 0.38 | 7.17 | 1.72 | 0.15 | MassSpecGym: A benchmark for the discovery and identification of molecules | |
| FraGNNet | 0.52 | 46.64 | 83.58 | 72.56 | 0.47 | MassSpecGym: A benchmark for the discovery and identification of molecules |
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