Showing 4 open source projects for "active"

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  • 1
    QMCF2

    QMCF2

    Quantum Mechanical Charge Field - Molecular Dynamics

    ...On Linux, open a terminal in `qmcf2_installer` and run: `python3 qmcf2_installer.py3` Review the detected compilers, libraries, paths, and warnings, then start the build. The manual is located at `qmcf2_html/qmcf2_doc/manual/qmcf2_manual.pdf`. QMCF2 is research software under active development. Validate calculations on small reference systems before production use. Licensed under GPL3.
    Downloads: 10 This Week
    Last Update:
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  • 2

    Python Power Electronics

    Circuit simulator for power electronics

    An open source circuit simulator for power electronics applications. The objective is to provide a platform that will enable an advanced user to simulate large systems with several converters without being an excessive burden on the CPU.
    Downloads: 0 This Week
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  • 3
    FAST Simulations

    FAST Simulations

    An Open source Analysis and SImulation Toolbox for Fuel Cells

    ...Derivative works of FAST-FC include FC-APOLLO which is a forked branch of this project intended to capture the code state at the exit of the funded DOE project. FAST-FC is the open and active community branch. FAST-FC is developed and maintained by the original creator and developer, David B. Harvey. Features of FAST-fc include transport of gases and liquids, multi-step reaction kinetics, transient and steady state operation for performance and durability, and scalable dimensionality from 1D - 3D domains. Future development work is on-going in FAST-fc and our strategic development schedule includes membrane degradation, improved liquid water transport models through the application of pore networks, and extension to stack-level simulation.
    Downloads: 0 This Week
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  • 4

    WISP

    Weighted Implementation of Suboptimal Paths (WISP)

    ...Dynamical network analysis has been used to model this cooperation, helping to computationally explain how binding to an allosteric site can impact the behavior of a primary site often many angstroms away. Traditionally, computational efforts have focused on the most optimal path of correlated motions leading from the allosteric to the primary active site. We present a program called Weighted Implementation of Suboptimal Paths (WISP) capable of rapidly identifying additional suboptimal pathways that may also play important roles in the transmission of allosteric signals. Aside from providing signal redundancy, suboptimal paths traverse residues that, if disrupted through pharmacological or mutational means, could modulate the allosteric regulation of important drug targets.
    Downloads: 1 This Week
    Last Update:
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