jku-vds-lab / reaction-cime

Reaction Cime
BSD 3-Clause "New" or "Revised" License
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Define LineUp SMILES column as categorical column for easier grouping #108

Open ginihumer opened 10 months ago

ginihumer commented 10 months ago

Short description

Change the base column type of SMILES columns from text to categorical to enable easier Group By functionality. There might be a problem with the custom filtering then, since that uses text input (i.e., user enters a substructure to filter by as text)...

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