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Directly using an RDKit mol with the mol_col parameter #3

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merged 5 commits into from
Mar 29, 2021

Commits on Mar 24, 2021

  1. Added option to use coords in Mol block column

    Fredrik Wallner committed Mar 24, 2021
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  2. Added Mol block demo

    Fredrik Wallner committed Mar 24, 2021
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  3. Made mdl_col option work when calling on non-df

    Fredrik Wallner committed Mar 24, 2021
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  4. use an RDKit mol column instead of a molblock

    Cédric Bouysset committed Mar 24, 2021
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  5. update docs and demo

    Cédric Bouysset committed Mar 24, 2021
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