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by Andrew Dalke.
Original Post: Molecular Coding
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.
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.