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Molecular Coding

Well, I've done it. I pushed the first of my new podcast series "Molecular Coding" to the world. Quoting from the main page:

Molecular Coding covers the software, developers, and programming problems which go into the science and algorithms of computational chemistry. If you're interested in the software that deals with life sciences at the atomic level - cheminformatics, molecular modeling, even bioinformatics - then listen here!

I have three other recorded interviews, which I'll publish on a hopefully regular schedule. I'll be at ICCS next week and plan to get more recordings, interviews, and maybe even a rant or two done there.

This first episode is an interview with Brian Cole and Imran Haque about their experience with GPU computing. Brian works at OpenEye, and their ROCS implementation is about 1,000 times faster using GPUs than CPUs. Imran Haque is at Stanford, where he implemented a GPU version of the LINGO algorithm and contributed to GPU Computing Gems: Emerald Edition.


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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