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Showing 6 open source projects for "python module"

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  • 1

    ERmod

    Approximate solvation free energy calculator

    ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.
    Downloads: 6 This Week
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  • 2
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
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    Downloads: 0 This Week
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  • 3
    Solution Percenter

    Solution Percenter

    Calculator for making solutions

    Soluton Percenter is a program for making solutions percent. Maked by python and PyQt4 module. For chemists, mathematicians and barmans. Program can create advanced recipes and print them.
    Downloads: 0 This Week
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  • 4
    Python module for manipulation of Crystallographic Information Framework (CIF) files
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    Downloads: 0 This Week
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  • 5
    This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish
    Downloads: 0 This Week
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  • 6
    ABE is a small, fast and convenient program for visualizing and modeling experimental bioassay data. The data can be modeled using either polynomials or a more specific four-parameter model based upon the standard, sigmoidal dose-response curve.
    Downloads: 1 This Week
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