Dear Jim
On Thu, Dec 20, 2012 at 6:15 PM, Jim Rathman <[email protected]> wrote:
> I’ve searched the mailing list archives and haven’t seen much about the
> status of RDKit for Python 3. Is there a current implementation of RDKit
> compatible with Python 3; if not, is there a timeline for this happening.
> I’m a new Python user and wondering whether I should focus on learning
> Python 2.7 or 3. Seems like most of the other components I’ll need are
> available for Python 3.3 (numpy, scipy, matplotlib, …) but if RDKit is not
> ready for 3 then I’ll stick with 2.7 for now.
>
There currently is no python3 support for the RDKit. Uwe Hoffmann created a
branch with an initial version of a port --
http://sourceforge.net/p/rdk-py3-branch -- but I've never managed to find
the time to pick it up and do much with it and I have yet to see much
demand for it.
It's definitely getting to be time to think about having a python3 version
of the RDKit, and I will probably try to build on Uwe's starting point
sometime next year, but for now you pretty much need to go with python 2.7.
It's probably worth reading one of the python2->python3 porting guides to
make sure your code is reasonably easy to move once that time comes.
Best,
-greg
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