Noel O'Blog
Wednesday, 2 December 2015
Coin-tossing power
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I've been doing some coin tossing. Well actually it's cheminformatics, but the problem reduces to coin tossing. Given that I toss a ...
2 comments:
Thursday, 27 August 2015
The whole of cheminformatics best practice in 15 minutes
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Here's the talk I co-presented with Rajarshi at the recent Boston ACS in a session about best practices in cheminformatics. It was entit...
1 comment:
Friday, 10 April 2015
A reason for optimism - improvements in solar cells
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Back in the day, I did some work in the area of dye-sensitised solar cells, and more recently on organic solar cells. So I like to keep an e...
Tuesday, 7 April 2015
See you at EuroSciPyDataCon?
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I've been checking up the various Python conferences this year. Using www.pycon.org as a starting point, I see that for me (based in Ca...
Tuesday, 10 March 2015
Rasmol.js
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"That guy over there said he wrote RasMol." We were at the MGMS Meeting in Dublin in 2005, and one of the PhD students in our grou...
7 comments:
Saturday, 14 February 2015
cheminformatics.js: Conclusion
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And that's brings me to the end of my emscripten adventures. I also looked into compiling Indigo, the core of which compiles fine (*), b...
Friday, 13 February 2015
cheminformatics.js: Helium
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The previous two posts covered some heavyweights; this time let's turn to a newer C++ toolkit called Helium , by Tim Vandermeersch. With...
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