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Showing 5 open source projects for "python calculator"

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  • 1
    pyisocalc

    pyisocalc

    Isotopic pattern calculator in python 3.x

    An isotopic pattern calculator written in Python 3. Given a chemical formula, it calculates the full isotopic distribution and simulates a mass spectrum. Dependencies: Python 3.6+, numpy, matplotlib, tkinter. The old python 2.x code has been updated and given a GUI. It's also a lot faster now.
    Downloads: 2 This Week
    Last Update:
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  • 2

    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: 3 This Week
    Last Update:
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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
    Sudsy is a saponification calculator coded in Python. The CLI works fine, but the PyGTK version still needs some work...The interface is designed and it starts up, but some of the callbacks still need to be implemented. Let me know if you can help.
    Downloads: 0 This Week
    Last Update:
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  • 5
    A tool to calculate atoms exposition to a probe in a three dimensional molecule structure.
    1 Review
    Downloads: 0 This Week
    Last Update:
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