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Benchmarks
Molecule Retrieval on MassSpecGym (MCES)
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32.3
Recall@1
MSAlign
1.3496
9.3848
17.42
25.4552
May 19, 2026
Recall@1
Recall@5
Recall@20
Updated 2mo ago
Evaluation Results
Method
Method
Links
Recall@1
Recall@5
Recall@20
MSAlign
formula_known=true, po...
2026.05
32.3
61.8
85.5
FLARE
formula_known=true
2026.05
27.2
53.8
80.2
MSAlign
formula_known=false
2026.05
16.2
35.6
59.9
MIST
formula_known=true
2026.05
14.6
34.9
59.1
Emb-Cos
formula_known=false
2026.05
12.3
26.2
46.4
JESTR
formula_known=false
2026.05
11.8
25.3
49.7
SAIL
formula_known=false
2026.05
9.5
23.9
45.2
DeepSets
formula_known=false
2026.05
5.24
12.58
28.21
FFN
formula_known=false
2026.05
2.54
7.59
20
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