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Benchmarks
Molecule Retrieval on NIST
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49
Accuracy (Top1)
MADGEN
-1.96
11.27
24.5
37.73
Jan 3, 2025
Accuracy (Top1)
SPA
Tanimoto Similarity (Top1)
MCES (Top1)
Accuracy (Top10)
Tanimoto Similarity (Top10)
MCES (Top10)
Updated 4mo ago
Evaluation Results
Method
Method
Links
Accuracy (Top1)
SPA
Tanimoto Similarity (Top1)
MCES (Top1)
Accuracy (Top10)
Tanimoto Similarity (Top10)
MCES (Top10)
MADGEN
Retriever=Oracle
2025.01
49
100
63
18.48
65.5
80
3.88
MADGEN
Retriever=Predictive
2025.01
4.6
40.3
11
72.38
7.3
18
69.34
Spec2Mol
2025.01
0
-
10
20.88
0
12
13.66
MSNovelist
2025.01
0
-
-
-
0
-
-
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