Showing 1 open source project for "agent"

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    DockStream

    DockStream

    A Docking Wrapper to Enhance De Novo Molecular Design

    ...DockStream can also parallelize docking across CPU cores, increasing throughput. DockStream is integrated with the de novo design platform, REINVENT, allowing one to incorporate docking into the generative process, thus providing the agent with 3D structural information.
    Downloads: 0 This Week
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