Dalke Scientific Software: More science. Less time. Products
Executive Summary
Dalke Scientific Software develops software systems that help researchers do more science in less time. Our focus is to provide usable tools and training for computational life sciences, with a focus on cheminformatics.

About the founder
About the Founder
Andrew Dalke dalke@dalkescientific.com
    Andrew Dalke started working in the computational life sciences in 1992 by co-developing a parallel version of CHARMm. He went on to graduate school in Klaus Schulten's group at the University of Illinois. He was part of the original team behind VMD and NAMD, and was the main developer of VMD for two years.

    He entered commerical software development with Look/GeneMine at Molecular Applications Group, and went on to be the principal developer of DiscoveryBase, a turnkey intranet application which integrated several bioinformatics databases and analysis tools.

    Writing several thousand lines of Perl code was enough to convince him that Python was a better language. He co-founded Biopython with Jeff Chang, and went on to be the Secretary of the Open Bioinformatics Foundation. He is also a member of the Python Software Foundation and has presented at many Python conferences.

    After MAG he worked at Bioreason, which used machine learning to analyze high-throughput chemical screens. It's there where he started in cheminformatics, and where he developed PyDaylight, a high-level interface to the Daylight toolkit.

    In 2000 he started his own consulting company in Santa Fe, NM, primarily developing custom in-house software for early-stage pharmaceutical R&D.; He and the company moved to Gothenburg, Sweden in 2007. One of the few publicly discussed projects is C-Lab, an internal descriptor and model prediction web application for AstraZeneca. Andrew developed the PyDrone back-end component, which integrates several dozen local and third-pary components, and manages the dependencies between them.

    Between 2004 and 2007, Andrew made several visits to South Africa to teach beginning and intermediate courses on Python for bioinformaticians for the National Bioinformatics Network, and to give more advanced training and advice at the University of Pretoria and Stellenbosch University.

    In 2008, Andrew move to Sweden, and started Andrew Dalke Scientific, AB.

    Most of his work since then has been in cheminformatics. Some of the projects of note are the chemfp high-performance similarity search package, the multi-structure maximum common substructure algorithm now in RDKit, and the mmpdb matched molecular pair analysis tool.

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