by Axel Pahl
The toolkit currently contains two functions to use with RDKit in the IPython notebook:
-
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. -
jsme: Display Peter Ertl's Javascript Molecule Editor to enter a molecule directly in the IPython notebook (how cool is that??)
A demonstration is worth a thousand words, so please have a look at the example notebook rdkit_ipynb_tools.ipynb.
The toolkit was written with and for Python3, but should also work on Python2. If not, please let me know.