Energy-based View of Retrosynthesis

Benchmark Model Rank Results
single-step-retrosynthesis-on-uspto-50kDual-TF (reaction class as prior)Top-1 accuracy: 65.7Top-3 accuracy: 81.9Top-5 accuracy: 84.7
single-step-retrosynthesis-on-uspto-50kDual-TF (reaction class unknown)Top-1 accuracy: 53.6Top-3 accuracy: 70.7Top-5 accuracy: 74.6