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Add MCS (Maximum Common Substructure) Function

Open timoleistner opened this issue 1 year ago • 0 comments

Would be cool to have a get_mcs() or find_mcs() function to find the maximum common substructure of a set of molecules.

The functionality already seems to be part of the RDKits minimal lib.

PS: Thank you for this awesome package!

timoleistner avatar Nov 15 '23 14:11 timoleistner