Hi RDKitters,
I am happy to announce an open source Excel add-in that gives easy
access to the RDKit Python API. The add-in is BSD-licensed like RDKit.
https://github.com/janholstjensen/rdkit4excel
Screenshot of the add-in running in Excel 2016 (note: molecule rendering
requires additional 3rd party software):
The add-in is easily extendable via pure Python scripting. A new Excel
function is added by adding a function to the CRDKitXL Python class and
annotating the new function's input/output parameter types through
structured comments. For example, adding an "rdkit_SmilesToMolBlock()"
function that has a single "smiles" string input parameter:
#RDKITXL: in:smiles:str, out:str
def rdkit_SmilesToMolBlock(self, smiles):
# Python function implementation follows here...
Many thanks to Esben Jannik Bjerrum who did the implementation of this
first version.
Cheers
-- Jan Holst Jensen
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