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Benchmarks
Reaction Prediction on RMechDB Atmospheric (test)
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62.1
Top-1 Acc
Contrastive
56.9
58.25
59.6
60.95
Nov 2, 2023
Top-1 Acc
Top-2 Acc
Top-5 Acc
Top-10 Acc
Inference Time
Updated 4d ago
Evaluation Results
Method
Method
Links
Top-1 Acc
Top-2 Acc
Top-5 Acc
Top-10 Acc
Inference Time
Contrastive
Variant=RxnHypergraph
2023.11
62.1
74.8
94.1
95.9
1.45
Contrastive
Variant=Atom Descriptor
2023.11
61
73.6
93
94.4
0.08
Two-step
Variant=Best Combination
2023.11
60.4
70.9
91.6
96.3
1.38
Text-based
Variant=Pretrained
2023.11
58
67.3
82.6
91
1.3
Text-based
Variant=Fine-tuned
2023.11
57.1
66.8
82.2
90.3
1.3
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