Probably not the reason, but there was an older version of pandas, 0.24 IIRC, 
that dinner render the molecules correctly.

Can you perform calculations on the mol objects?

On Mar 29, 2020, at 4:07 AM, Tim Dudgeon <tdudgeon...@gmail.com> wrote:



I'm finding that if I create a pandas dataframe using PandasTools.LoadSDF() and 
then write the dataframe out using df.to_pickle() then I can read that pickle 
back in as a dataframe, but the RDKit molecules don't get handled correctly.

Is there a way to fix this?

<efjecocmbbcdcbhc.png>


_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to