[Rdkit-discuss] One tautomer not included in list of enumerated tautomers

Hi all, I'm looking at scoring tautomers, and using the 'tautobase' dataset used by Weider et al* at: https://github.com/choderalab/neutromeratio/blob/master/data/b3lyp_tautobase_subset.txt This dataset has pairs of tautomers with experimental logK values to determine the preferred tautomer. In

Re: [Rdkit-discuss] Redirect error messages to a file in Python?

Thanks Joel, That's really helpful. Armed with that information, I was able to dig further into the source code and find some unit tests that do very similar to what you have set up, but within a context manager. Hopefully the mail client won't mangle the formatting. Cheers, Dave