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Directly using an RDKit mol with the
mol_col
parameter (#3)
* Adds the ability to directly use an RDKit mol instead of relying on a SMILES intermediate. This makes using the 2D coordinates of the input mol a possibility, instead of systematically generating new ones. It also allows for drawing annotations on molecules (see RDKit's "atomNote" and "bondNote" for more info) * Introduces 3 new parameters: * `mol_col=None`: Column of the dataframe containing RDKit molecules * `use_coords=True`: directly use the coordinates from each molecule, or generate new ones * `remove_Hs=True`: remove hydrogen atoms from the drawings Co-authored-by: Fredrik Wallner <fredrik.wallner@irlab.se> Co-authored-by: Cédric Bouysset <cedric.bouysset@unice.fr>
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