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Benchmarks
Molecule Retrieval on NPLIB1
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34.7
Recall@1
MSAlign
7.868
14.834
21.8
28.766
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
34.7
64.7
87.9
MSAlign
formula_known=false
2026.05
31.8
60.4
82.9
MIST
formula_known=true
2026.05
27.2
52
73.8
Emb-Cos
formula_known=false
2026.05
22.5
48.3
72.7
FLARE
formula_known=true
2026.05
19.6
50.8
76.6
SAIL
formula_known=false
2026.05
18.6
46.4
75.8
JESTR
formula_known=false
2026.05
11.2
33.1
62
DeepSets
formula_known=false
2026.05
11.1
30.4
56.5
FFN
formula_known=false
2026.05
8.9
22
44.4
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