[IPython-User] IPython for chemistry

Thomas Kluyver takowl@gmail....
Sat Mar 31 05:55:59 CDT 2012


Here's a novel use of the rich-repr functionality in IPython: viewing
molecular structures. This is now possible with a couple of chemistry
packages:

http://code.google.com/p/rdkit/wiki/IPythonIntegration  (added to the
Projects using IPython page)
http://baoilleach.blogspot.co.uk/2012/03/molecular-eye-candy-for-ipython.html

Thomas


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