Showing 10 open source projects for "chemoinformatics"

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  • 1
    MolecularGraph.jl

    MolecularGraph.jl

    Graph-based molecule modeling toolkit for cheminformatics

    MolecularGraph.jl is a graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia.
    Downloads: 0 This Week
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  • 2
    Mychem is a chemoinformatics extension for MySQL.
    Downloads: 0 This Week
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  • 3
    OPEN GENERAL SCIENTIFIC INTERFACES
    OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
    Downloads: 0 This Week
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  • 4
    The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.
    Downloads: 6 This Week
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  • 5
    Screening Assistant 2
    ScreeningAssistant 2 is a modular software dedicated to perform various simple and advanced chemoinformatics analysis around chemical libraries.
    Downloads: 0 This Week
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  • 6
    PerlMol is a collection of Perl modules for chemoinformatics and computational chemistry with the philosophy that "simple things should be simple". It should be possible to write one-liners that use this toolkit to do meaningful "molecular munging".
    Downloads: 1 This Week
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  • 7
    ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds. Together with Support Vector Machines, these kernel functions find natural applications for virtual screening of molecules.
    Downloads: 0 This Week
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  • 8
    OBExtensions is a extension library for the chemoinformatics library Openbabel. It provides extensions to Openbabel, being mostly GUI widgets. OBExtensions has a 2D/3D viewer, 2D coordinates generator and some other extensions.
    Downloads: 0 This Week
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  • 9
    Frowns is a chemoinformatics system written almost entirely in python.
    Downloads: 1 This Week
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  • 10
    jchemhub is a javascript chemoinformatics tool
    Downloads: 0 This Week
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