Joshua Meyers

icon company SyntenyAI icon location London icon location Applying AI to Drug Discovery, Chemoinformatics and Structural Bioinformatics.

Results 13 comments of Joshua Meyers

symbol and char in the elements.txt

Hey Guys, thanks for your interest in our work and apologies for the slow reply. I am also very glad we can provide source code. I believe the same answer...

symbol and char in the elements.txt

@LivC182 Regarding input sequences containing stereoisomeric information. MolBERT can handle @ and @@. This would be tokenized, encoded by the featurizer and potentially learned by our representation. However, we have...

Dataset size and creation

Hi @LivC182, thanks for your interest in our work. Regarding threshold selection for similarity filtering in the GuacaMol training dataset, I can point you to reference (86) in the GuacaMol...