Showing 14 open source projects for "calculation"

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  • 1

    GromacsProSuite

    Graphical User Interface for Gromacs

    This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...
    Downloads: 8 This Week
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  • 2
    DimCE

    DimCE

    Tool for evaluating an energy sharing project in Wallonia.

    DIMCE was created out of a desire to give everyone a tool for assessing the profitability of a shared energy project. DIMCE enables a detailed analysis of a collective energy project, making it possible to evaluate its relevance. It can simulate photovoltaic, wind, and cogeneration/anaerobic digestion production.
    Downloads: 20 This Week
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  • 3
    MzDOCK - Multiple Ligand Docking Tool

    MzDOCK - Multiple Ligand Docking Tool

    MzDOCK is A Virtual Screening Tool For Drug Discovery Research

    - Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us -...
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    Downloads: 55 This Week
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  • 4
    Code_TYMPAN

    Code_TYMPAN

    Open source software calculating industrial noise in the environment

    ...It allows dealing with 3D realistic geometries and has a convenient Human Machine Interface to help engineers to build 3D models and to achieve analysis needed in environmental noise studies. Code_TYMPAN™ allows developing your own calculation method from basic components and geometrical solvers. It includes a solver based on ISO 9613 extended to industrial applications. In 4.2.x version, a Python API allows advanced users to build and solve models programmatically. By this mean, developers have the capability of building new tools with acoustic features with high productivity. ...
    Downloads: 16 This Week
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  • 5
    ALAMODE

    ALAMODE

    Ab initio simulator for thermal transport and lattice anharmonicity

    ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :...
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    Downloads: 8 This Week
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  • 6

    Liquid rocket engine parameter solver

    This is the liquid rocket engine parameter solver Alpha release 1.

    This is the liquid rocket engine parameter solver Alpha release 1 which is the first version for this project. This first version will help to find thrust values by giving some values to the system
    Downloads: 0 This Week
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  • 7

    Template Code Set for JModelica

    This is a template Python code set to use JModelica easily.

    This is a template Python code set which makes it easy to use JModelica to solve optimal control problem. The template includes a sample model definition file (opt_definition.mop) and a .bat file (run_me.bat) to start its calculation. After download the template, immediately you can run JModelica by only double-clicking run_me.bat file, and obtain the optimization result. Please go to the page given below for the information of how to start to use this and its details.
    Downloads: 0 This Week
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  • 8
    ...Includes among others * a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data). * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement and its application to ordering in glassy hard sphere colloids. Soft Matter 9, 1447–1457 (2013). https://dx.doi.org/10.1039/C2SM27107A (http://arxiv.org/pdf/1301.7237.pdf)
    Downloads: 0 This Week
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  • 9
    graphene-like-ribbons

    graphene-like-ribbons

    Calculate electronic properties of graphene-like nanoribbons

    User friendly interface for calculating electronic properties in graphene-like ribbons. The programs uses the tight binding approximation and mean field Hubbard model to predict electronic properties of graphene-like nanoribbons. See Discussion to ask questions or details Update: New versions of this program will be known as quantum-honeycomp
    Downloads: 0 This Week
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  • 10
    A multiparticle tracking postprocessor library for accelerator physicsists.
    Downloads: 0 This Week
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  • 11
    Gas Turbine Developer
    "gtdev" is an open source tool which assists the engineer in developing a new gas turbine (1D Thermo- and Aerodynamics). It is created by the student research group "Hummingbird - TUM Gas Turbines" placed at the LFA, TU Munich: http://www.hummingbird.tum.de
    Downloads: 3 This Week
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  • 12
    ddsweet is collection of tools and routines for science calculation and simulation.
    Downloads: 0 This Week
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  • 13
    That project aims at providing a clean API and a simple implementation (C++ library) of an Airline-related Seat Inventory Availability Calculation system. That library uses the Standard Airline IT C++ object model (http://sf.net/projects/stdair).
    Downloads: 0 This Week
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  • 14
    cloudFlu
    HPC cloud computing for OpenFOAM (R) users
    Downloads: 0 This Week
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