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epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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It is possible to get atom index order by canonicalSmiles and smiles? #2011

Open Pandaaaa906 opened 4 months ago

Pandaaaa906 commented 4 months ago

Background we would like to generate image with smiles and atom xy position while training some models.