Noel O'Blog

Wednesday, 6 February 2013

A compilation of speeds - Compiler face-off

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Let's get right into this one. I've compiled Open Babel with g++ in various ways, and am going to compare the speed with the MSVC++ ...
10 comments:

Compiling Open Babel with MinGW on Windows

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If you want to compile on Windows using GCC , you have two alternatives: Cygwin's GCC and MinGW's. The one from Cygwin is easier to...
2 comments:
Thursday, 24 January 2013

You can QSAR that again - Reproducible research with IPython

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I've mentioned the IPython Notebook before ( here and here ). It's an interactive Python session that runs in the web browser, and...
Saturday, 19 January 2013

Chemistrify your Raspberry Pi Part III

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Following on from Parts I and II , now for the chemistry bit. It turns out this is the easiest part: apt-get install python-cinfony python-...
Tuesday, 15 January 2013

Compiling RDKit with MSVC 2012

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Compiling RDKit is a bit like the recipe for Elephant Soup. It's straightforward, but first we have to compile Boost (as there are no b...
Saturday, 5 January 2013

IPython notebook and animated FiPy simulations

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I was back home this Christmas, and met up with a friend, Johan Hjelm . Naturally the conversation turned to the awesomeness of Python, and ...
3 comments:
Wednesday, 2 January 2013

Chemistrify your Raspberry Pi Part II

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In Part I , we got this very lean mean machine up and running. Now we want to take a look at what's going on in its tiny tiny silicon br...
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