Dear fellow RDKitters,
the RDKit community is always so helpful that I wanted share back two
functions that I use in the IPython Notebook from which I thought that
they could be of use to others, as well.
- show_table:
Display a list of molecules in a table with molecule properties as columns.
When an ID property is given, the table becomes interactive and
compounds can be selected.
I know that this can be also done with PandasTools but that might be
overkill in some situations. Also the table from Pandas is not
interactive to my knowledge.
- jsme:
Display Peter Ertl's Javascript Melecule Editor to enter a molecule
directly in the IPython notebook (how cool is that??)
If you are interested, please have a look at the GitHub
<https://github.com/apahl/rdkit_ipynb_tools> repo and the example
<http://nbviewer.ipython.org/github/apahl/rdkit_ipynb_tools/blob/master/rdkit_ipynb_tools.ipynb>
notebook.
Kind regards,
Axel
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