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ideaconsult / apps-ambit

Applications using AMBIT and examples how to call AMBIT modules
http://ideaconsult.github.com/apps-ambit
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Java API usage #10

Open tdudgeon opened 5 years ago

tdudgeon commented 5 years ago

Can you point to an example of using the Java API for generating tautomers. For instance, if I have CDK IAtomContainer how can I generate tautomers for that molecule, along with this associated information such as the energy score.

NicolaiRee commented 4 years ago

I am also really interested in how to get started with ambit-tautomers.