PODCAST
Molecular Coding
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!
Episodes
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Igor Filippov and OSRA
In this interview recorded 9 June 2011, I talked with Igor Filippov. He’s the main author of ORSA, the Optical Structure Recognition Application. It extracts chemical structure information from printed material, and is used in a number of chemistry applications. Igor works at the NCI/CADD group…
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Bob Tolbert
In this interview recorded 28 March 2011, I talked with Bob Tolbert, the VP of Development at OpenEye about the software engineering processes that they use to develop their cheminformatics and molecular modeling tools. AD: Hello my name is Andrew Dalke. Welcome to episode three of "Molecular...
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Paolo Tosco and Open3DQSAR
In this episode recorded 7 June 2011 at ICCS 2011, I interviewed Paolo Tosco and the Open3DQSAR project. It is a tool for high-throughput chemometric analysis of molecular interaction fields. As of 17 June 2011 this project became free software; before then it was restricted to non-Europeans...
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GPU Computing in Cheminformatics
In this episode recorded March 8, 2011, I talk 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...
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ABOUT THIS SHOW
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!
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