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Forward reaction prediction on Reaction Prediction Dataset
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91.5
Top-1 Accuracy
SPMM
86.092
87.496
88.9
90.304
Nov 19, 2022
Top-1 Accuracy
Top-2 Accuracy
Top-3 Accuracy
Top-5 Accuracy
Updated 4d ago
Evaluation Results
Method
Method
Links
Top-1 Accuracy
Top-2 Accuracy
Top-3 Accuracy
Top-5 Accuracy
SPMM
molecule modality=stri...
2022.11
91.5
93.4
94.6
95.3
Chemformer_large
molecule modality=stri...
2022.11
91.3
-
-
93.7
LocalTransform
molecule modality=grap...
2022.11
90.8
94.8
95.7
96.3
Augmented Transformer
molecule modality=stri...
2022.11
90.6
94.4
-
96.1
Graph2SMILES
molecule modality=stri...
2022.11
90.3
-
94
94.8
Molecular Transformer
molecule modality=stri...
2022.11
88.7
92.1
93.1
94.2
MEGAN
molecule modality=grap...
2022.11
86.3
90.3
92.4
94
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