Strange. It's just started working now.
I can't explain it.
On 30/03/2020 08:30, Markus Heller wrote:
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 <[email protected]> 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>
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