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Showing 1 open source project for "molecular"

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    BioEmu

    BioEmu

    Inference code for scalable emulation of protein equilibrium ensembles

    ...To reconstruct the side-chains, several tools are available. As an example, we interface with HPacker to conduct side-chain reconstruction and also provide basic tooling for running a short molecular dynamics (MD) equilibration.
    5.0 out of 5 stars 1 Review
    Downloads: 5 This Week
    Last Update:
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