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rdkit / mmpdb

A package to identify matched molecular pairs and use them to predict property changes.
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How to use SQL to get the table of all rules in the mmpdb file, as well as the number of pairs, and statistics for each rule? #62

Open Yueming-Yin opened 1 month ago

Yueming-Yin commented 1 month ago

I don't know how to use SQL to get the table of all rules in the mmpdb file, as well as the number of pairs, and statistics for each rule. Could you please share your steps to achieve this? @chengthefang

          @KramerChristian Thanks, Christian. This solved my problem. I will close the issue from my end.

Originally posted by @chengthefang in https://github.com/rdkit/mmpdb/issues/12#issuecomment-492273284