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Benchmarks
Reaction prediction on RMechDB Core (test)
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64.3
Top-1 Acc
Contrastive
57.436
59.218
61
62.782
Nov 2, 2023
Top-1 Acc
Top-2 Acc
Top-5 Acc
Top-10 Acc
Latency
Updated 4d ago
Evaluation Results
Method
Method
Links
Top-1 Acc
Top-2 Acc
Top-5 Acc
Top-10 Acc
Latency
Contrastive
Variant=RxnHypergraph
2023.11
64.3
74.1
95.1
97.4
1.45
Contrastive
Variant=Atom Descriptor
2023.11
62.9
73.8
94.2
96.5
0.08
Two-step
Variant=Best Combination
2023.11
62.4
71.9
93.2
97.2
1.38
Text-based
Variant=Pretrained
2023.11
58.2
64.3
84.2
91
1.3
Text-based
Variant=Fine-tuned
2023.11
57.7
64
83.9
90.4
1.3
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