Showing 8 open source projects for "environment-modules"

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  • 1
    EChem++ is a software system based on an object oriented approach to electrochemical experimentation, simulation, and data analysis. Currently, development emphasis lies on the modelling and simulation as well as the analysis modules.
    Downloads: 0 This Week
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  • 2
    almost - all atom molecular simulation toolkit - is a fast and flexible molecular modeling environment that provides powerful and efficient algorithms for molecular simulation, homology modeling, de novo design and ab-initio calculations.
    Downloads: 0 This Week
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  • 3
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work,...
    Downloads: 0 This Week
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  • 4
    ASCEND modelling environment
    ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provid
    Downloads: 32 This Week
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  • 5
    Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.
    Downloads: 0 This Week
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  • 6
    A collection of chemistry related software for the KDE Desktop Environment (release 3.0)
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  • 7
    PNE provides an environment for modeling, simulating, and optimizing biological networks including regulatory and metabolic networks.
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  • 8
    Free wastewater treatment plant simulator and modelling environment
    Downloads: 0 This Week
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