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Showing 2 open source projects for "wrapper"

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    DockStream

    DockStream

    A Docking Wrapper to Enhance De Novo Molecular Design

    DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution and post hoc analysis can be automated via the benchmarking and analysis workflow. The flexilibity to specifiy a large variety of docking configurations allows tailored protocols for diverse end applications. DockStream can also parallelize docking across CPU cores, increasing throughput.
    Downloads: 0 This Week
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    A python script with modules that help send benchmarking jobs over the grid. Provides a wrapper around the grid middleware for easy sending and retrieving informations. Uses mostly lmbench suite but more benchmarking tools will be included.
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    Downloads: 0 This Week
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