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by Andrew Dalke.
Original Post: EuroQSAR posters
Feed Title: Andrew Dalke's writings
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Feed Description: Writings from the software side of bioinformatics and chemical informatics, with a heaping of Python thrown in for good measure.
I'll be at EuroQSAR 2008 next
week in Uppsala. It's just a couple of train trips away after all,
and it should be a great way to find new clients and find people for
my Python training
courses for cheminformatics. If you're there, say hello. I'm
curious to know who reads this blog.
I made two posters for the conference. One is about the C-Lab
project at AstraZeneca. It's an intranet application for molecular
descriptor model calculations. I mostly worked on the back-end
compute engine, which interfaces to a bunch of resources and manages dependencies between them.
The other is about Python
for Computational Chemistry. The point of the poster is that
Python is "the best choice of high-level programming language for
computational chemistry" and I think I made a good case.
It also has eye candy. I'm quite proud of my "timeline of
cheminformatics toolkits" graphic showing how different toolkits are
related, when they were in active development, and a bit about how
developers have moved between projects.
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