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Showing 2 open source projects for "emulation"

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    BioEmu

    BioEmu

    Inference code for scalable emulation of protein equilibrium ensembles

    Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. BioEmu outputs structures...
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    Downloads: 0 This Week
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    The goal of this project is to make a biologic pathway simulation / emulation application. The ultimate goal is to feed different file types to the application and configure a pathway and its behaviour.
    Downloads: 0 This Week
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