Paper | Code | Cosine Similarity | Jensen-Shannon Similarity | Hit Rate @ 1 | Hit Rate @ 5 | Hit Rate @ 20 | ModelName | ReleaseDate |
---|---|---|---|---|---|---|---|---|
MassSpecGym: A benchmark for the discovery and identification of molecules | ✓ Link | 0.52 | 0.47 | 46.64 | 72.56 | 83.58 | FraGNNet | 2024-10-30 |
MassSpecGym: A benchmark for the discovery and identification of molecules | ✓ Link | 0.25 | 0.24 | 8.44 | 21.43 | 38.57 | FFN Fingerprint | 2024-10-30 |
MassSpecGym: A benchmark for the discovery and identification of molecules | ✓ Link | 0.19 | 0.20 | 3.95 | 11.92 | 26.27 | GNN | 2024-10-30 |
MassSpecGym: A benchmark for the discovery and identification of molecules | ✓ Link | 0.15 | 0.15 | 0.38 | 1.72 | 7.17 | Precursor m/z | 2024-10-30 |