Browse free open source Python Simulation Software and projects below. Use the toggles on the left to filter open source Python Simulation Software by OS, license, language, programming language, and project status.

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  • 1
    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: 4 This Week
    Last Update:
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  • 2
    pyMDMix

    pyMDMix

    Molecular dynamics with aqueous-organic solvent mixtures

    This python package aims to help people set up and analyze molecular dynamics simulations in aqueous-organic solvent mixtures. See D. Alvarez-Garcia et al. Journal of Medicinal Chemistry, 2014.
    Downloads: 3 This Week
    Last Update:
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  • 3
    BETR-Research (BETRS) is a modelling framework to create spatially resolved multimedia models for the environmental fate- and transport of chemical contaminants. It is intended to serve the research community and can be used as a teaching tool.
    Downloads: 2 This Week
    Last Update:
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  • 4
    FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.
    Downloads: 0 This Week
    Last Update:
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  • 5
    GNNePCSAFT

    GNNePCSAFT

    Smart Thermodynamic Modeling with Graph Neural Networks

    The project focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. Currently, the model takes into account the hard-chain, dispersive, and associative terms of PC-SAFT. Future work on polar and ionic terms is being studied. FeOS is used for the PC-SAFT calculations. The estimated parameters can be used in DWSIM and Aspen HYSYS process simulators.
    Downloads: 0 This Week
    Last Update:
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  • 6
    Free wastewater treatment plant simulator and modelling environment
    Downloads: 0 This Week
    Last Update:
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  • 7
    MIPGen

    MIPGen

    Simple Molecular Interaction Potential Generator in Python

    Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome to post any bug or request under BUGS & REQUESTS menu. (sourceforge account will be needed).
    Downloads: 0 This Week
    Last Update:
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  • 8
    STochastic Engine for Pathway Simulation
    Stochastic simulator for signaling pathways occuring in biological cells. Handles reaction-diffusion processes in 3D tetrahedral meshes. Please check our new repository: https://github.com/CNS-OIST/STEPS
    Downloads: 0 This Week
    Last Update:
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