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Published 20 hours ago • verified publisher icon oriondollar

SMILES length

Open WYejian opened this issue 3 years ago • 1 comments

Whether this vae model has limited the longest length of the input SMILES, and has not set it as a hyperparameter that can be changed？

WYejian avatar Oct 16 '21 10:10 WYejian

Hey sorry for the delayed reply. The longest length of the input string is hard-coded into the model. The flexibility of this hyperparameter is limited by the kernel size and stride in the convolutional (and de-convolutional) layers within the bottleneck. You could adapt these layer types to allow for longer strings if 125 tokens is too restrictive for your use case.

oriondollar avatar Mar 09 '22 21:03 oriondollar