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Excel add-in written in Python that gives access to RDKit functions in Excel.
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RDKit for Excel - rdkit4excel

A simple Excel add-in that gives access to RDKit functions through Python.


  • All-Python implementation - any function that can be written as Python code can be added to Excel.
  • Automatic publishing of new Python functions added, when marked up with a simple comment.

General prerequisites

  • Python 2 or 3
  • Python modules pythoncom and win32com
  • Python modules for RDKit
  • Microsoft visual C 9.0 for python 2.7
    • Works for both Python 2 and 3 (in this project!).
    • Only needed if you add new Excel-callable functions to the add-in.

With the default configuration, your Python installation has to be the same bitness as your Excel. If you have 32-bit Excel and use a 64-bit Python you must set the Python service to run as an out-of-process service (for more details see the [INSTALL document] (./doc/

Known bugs and issues

The IDL generation and compilation will fail if a default parameter contains " (double-quotes) in a string quoted by ' (single-quotes).


Code released under the BSD license.

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