Showing 4 open source projects for "python software"

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  • Business password and access manager solution for IT security teams Icon
    Business password and access manager solution for IT security teams

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  • 1

    Chemical Trajectory Analyzer

    A software package for processing and analyzing chemical trajectories

    ChemTraYzer creates reaction models from molecular dynamics simulations. It's available as open software (MIT license). Please find a full description @ https://www.ltt.rwth-aachen.de/cms/LTT/Forschung/Forschung-am-LTT/Model-Based-Fuel-Design/Aktuelle-Projekte/~kqbf/ChemTraYzer/lidx/1 M.Döntgen, M.-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics...
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    Downloads: 13 This Week
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  • 2
    CAMPARI

    CAMPARI

    Software for molecular simulations and trajectory analysis

    We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and...
    Downloads: 8 This Week
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  • 3

    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...
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    Downloads: 4 This Week
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  • 4

    Molecular Dynamics Studio

    Molecular Dynamics Cell Construction

    This is a collection of software modifications created to integrate NanoEngineer-1, PACKMOL and MSI2LMP for the purpose of easily creating molecular dynamics cells. NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the...
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    Downloads: 22 This Week
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  • No-code email and landing page creation Icon
    No-code email and landing page creation

    Make campaign creation fast and easy with Knak

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