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Adding the ability to convert to/from InChI strings, and convert InChI to InChIKey.
As some RDKit installations do not include InChI, this functionality is implemented behind a feature.

@benjysmith benjysmith marked this pull request as ready for review March 20, 2023 05:00
@benjysmith benjysmith changed the title Adding InChI Support Add InChI Support Mar 20, 2023
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xrl commented Aug 16, 2023

I'm so sorry, I'm just seeing this now. I will review it this week.

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2 participants