Just WOW Axel.
This is useful. Perhaps they will be merged in some future version of
RDKit?
-
Jean-Paul Ebejer
Early Stage Researcher
On 2 July 2015 at 15:20, George Papadatos <gpapada...@gmail.com> wrote:
> Axel, this is seriously cool!
> Many thanks!
>
> George
>
> On 2 July 2015 at 13:31, Axel Pahl <axelp...@gmx.de> wrote:
>
>> 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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>
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