Hi George, Nikolas is really the expert here, but this just worked for me:
curs.execute('select molregno,mol_send(m) from rdk.mols where m@
>%s',('c1cccc2c1nncc2',))
d = curs.fetchall()
df2 = pd.DataFrame(d,columns=('molregno','pkl'))
df2['romol']=df2.apply(lambda x:Chem.Mol(str(x['pkl'])),axis=1)
PandasTools.RenderImagesInAllDataFrames()
del df2['pkl']
df2.head(2)
-greg
On Fri, Oct 25, 2013 at 4:43 PM, George Papadatos <gpapada...@gmail.com>wrote:
> Question to rdkit pandas users (pandaskitters?):
>
> I managed to have the mol_send(m) object in a pandas frame:
> [image: Inline images 1]
> if I do this: data['mol'].map(str).map(Chem.Mol)
> I get the mol in base64 PNG:
>
> [image: Inline images 2]
>
> How do I display the column as rendered images (and keep them internally
> as a Series of rdmols) ?
>
> PandasTools.ChangeMoleculeRendering seems relevant but I can't get it to
> display the mols
>
> Cheers,
>
> George
>
<<image.png>>
<<image.png>>
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