Showing 3 open source projects for "distribution"

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    RDKit

    RDKit

    Open-Source Cheminformatics and Machine Learning

    ...NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java. Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches.
    Downloads: 7 This Week
    Last Update:
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  • 2

    PyCancerDB

    Cancer Proteomics Database display and management

    PyCancerDB is a source code distribution providing a Web-based interface for browsing and updating the Cancer Proteomics Database, together with scripts for maintaining the database.
    Downloads: 0 This Week
    Last Update:
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  • 3
    BASILISK
    BASILISK is a probabilistic model of the conformational space of amino acid side chains in proteins. Unlike rotamer libraries, BASILISK models the chi angles in continuous space, including the influence of the protein's backbone.
    Downloads: 2 This Week
    Last Update:
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