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Showing 8 open source projects for "chemoinformatics"

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  • 1

    MolPrep

    RDkit-based Molecule Optimization Tool (CLI) in python.

    ...With the help of RDKit, this tool enables users to load, clean, standardize, and optimize molecular structures effortlessly. Its robust design ensures scalability and efficiency, making it ideal for chemoinformatics workflows.
    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".
    3.0 out of 5 stars 2 Reviews
    Downloads: 0 This Week
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  • 7
    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: 1 This Week
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  • 8
    Frowns is a chemoinformatics system written almost entirely in python.
    Downloads: 0 This Week
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