Add flag for reactant containing other reactant SMARTS

kate-fie / syndirella

Generates and scores synthetically practical elaborations from fragment screens

https://syndirella.readthedocs.io/en/latest/

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Closed kate-fie closed 1 week ago

kate-fie commented 1 month ago

As of now, all reactants containing the SMARTS of the other reactant are filtered out. Remove this and instead change it to a flag.