Hi all, is it possible to manually add molecules to a pandas dataframe? I am reading a bunch of mol2 files, adding some properties (including some atom highlighting), then I'd like to add the resulting molecule to the dataframe in order to show its depiction along with the data. However, API docs and examples I found around always assume you have a SMILES string to start with.
Any pointers? -- Gianluca Sforna _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
