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De novo molecule generation from MS/MS spectrum
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MassSpecGym
De novo molecule generation from MS/MS spectrum on MassSpecGym
Metric: Top-1 Accuracy (higher is better)
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Model
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Top-1 Accuracy
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Extra Data
Paper
Date
↕
Code
1
Random chemical generation
0
No
-
-
Code
2
SELFIES Transformer
0
No
-
-
Code
3
SMILES Transformer
0
No
-
-
Code