The accuracy of retrosynthesis are different from the paper

[z15544534]

Hello, Thanks for sharing this library! The results of https://torchdrug.ai/docs/tutorials/retrosynthesis.html are different from the G2Gs. For reaction class is un-known, these are the reported results from the paper： top-1 accuracy: 0.489 top-3 accuracy: 0.676 top-5 accuracy: 0.725 top-10 accuracy: 0.755 These are the reported results from the https://torchdrug.ai/docs/tutorials/retrosynthesis.html: top-1 accuracy: 0.47541 top-3 accuracy: 0.741803 top-5 accuracy: 0.827869 top-10 accuracy: 0.879098 I cannot understand why the result of k>2 is higher than reported in the literature. Thank you very much

[KiddoZhu]

The implementation of G2Gs here is improved compared to TorchDrug. Check this reply from the author. Also the variational part is removed from the reactant generation module, which might contribute to some improvement if I recall correctly.

[KiddoZhu]

Duplicate of #103.