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EuroQSAR posters

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 and 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 (also available in poster size). 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.

Update: Here's my EuroSciPy 2008 presentation titled Python Tools in Computational Chemistry (and Biology).

Andrew Dalke is an independent consultant focusing on software development for computational chemistry and biology. Need contract programming, help, or training? Contact me

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