knu-lcbc / RetroTRAE

Retrosynthetic prediction with Atom Environments
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Top-k calcu #10

Open gabbyzyk opened 1 year ago

gabbyzyk commented 1 year ago

Hello, Thanks for your research , I have a question , top-k is an important metric ,but how to calculate top-k when using AE-SMILES pairs?I would like to know how you calculate the top-k, thank you very much.