Hi rdkiters,
I added some functions to RDKit PandasTools.py. This is the pull request:
https://github.com/rdkit/rdkit/pull/155
And since ipython notebook is worth 1000 words have a look at the demo to
get a feeling what these functions do:
http://nbviewer.ipython.org/urls/github.com/Team-SKI/snippets/raw/master/IPython/RDKit%2526pandas%2520demo%2520of%2520new%2520functions.ipynb
I hope you'll find this useful..
Best regards,
Samo
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