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Showing 5 open source projects for "python programming language"

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    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...
    3 Reviews
    Downloads: 3 This Week
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  • 2

    Larch: Data Analysis for X-ray Spectra

    Data Processing and Analysis for X-ray Spectroscopy and More

    ...Larch is written in Python and relies heavily on the standard tools for scientific computing with Python (numpy, scipy, matplotlib, and h5py).
    Downloads: 1 This Week
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  • 3

    xyz2eps

    python command line utility to print xyz-geometry to eps file format.

    xyz2eps.py is an command line utility written in Python programing language which prints the geometry from xyz-file directly to the eps-file format. Originally it was designed to study the problems related to grain boundaries in graphene.
    Downloads: 0 This Week
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  • 4
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    1 Review
    Downloads: 0 This Week
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  • 5
    Esra is a 100% pure java library for the interactive analysis of molecular mechanics data. Mangles your data in your favorite scripting language.
    Downloads: 1 This Week
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