Showing 7 open source projects for "python reaction"

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  • 1
    Catalyst

    Catalyst

    Accelerated deep learning R&D

    ... something totally new. Catalyst is compatible with Python 3.6+. PyTorch 1.1+, and has been tested on Ubuntu 16.04/18.04/20.04, macOS 10.15, Windows 10 and Windows Subsystem for Linux. It's part of the PyTorch Ecosystem, as well as the Catalyst Ecosystem which includes Alchemy (experiments logging & visualization) and Reaction (convenient deep learning models serving).
    Downloads: 1 This Week
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  • 2

    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 Simulations", J...
    Downloads: 19 This Week
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  • 3
    MEpathGUI

    MEpathGUI

    Reaction pathway diagram maker GUI

    Python-based GUI for plotting minimum energy reaction pathway graphs.
    Downloads: 0 This Week
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  • 4
    pybrn is a Python package for the analysis of biochemical reaction networks. It provides basic model handling capabilities, import from SBML, analysis of conservation relations, steady state computation and model simulation.
    Downloads: 0 This Week
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  • 5

    PyWham

    Python implementation of the Weighted Histogram Analysis Method (WHAM)

    Latest version is 1.2, released Mar 12, 2016 PyWham is a flexible and fully customizable implementation of the Weighted Histogram Analysis Method (WHAM) in Python 2. PyWham has been carefully designed with flexibility in mind. Some of its features are: (1) any number of reaction coordinates, (2) any form of potential, (3) compatibility with Python syntax and Python math module and (4) support for user-defined functions. Knowledge of Python is not required.
    Downloads: 1 This Week
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  • 6

    ThermV

    Comprehensive thermal analysis software package

    ThermV thermal analysis software package aims to provide the most sophisticated automatic analysis of thermal analysis data (TG/DTG, DTA and DSC). It offers new algorithm for concurrent peak deconvolution at different heating rates and provides full kinetic analysis of these data, including isoconversional methods for Ea, determination of reaction model and full kinetic triplet, Avrami coefficients, and dimensionality of crystal growth for reactions in the solid state. The project is currently...
    Downloads: 0 This Week
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  • 7
    A small python script that behaves like apt-get/aptitude. It is intended for software management on ReactOS, with a software repository of Free Software applications that are known to work on the latest ReactOS version.
    Downloads: 0 This Week
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