Showing 141 open source projects for "apostila-python"

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  • 1
    PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.
    Downloads: 6 This Week
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  • 2
    A drawing program for chemical structure formulas, in the vein of chemtool, BKChem, EasyChem, or Xdrawchem.
    Downloads: 0 This Week
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  • 3
    CT8K is an experimental quantum chemistry program intended to bring state of the art methods to the desktop PC
    Downloads: 0 This Week
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  • 4
    A repository of Python extension scripts for use with the Sparky (http://www.cgl.ucsf.edu/home/sparky) NMR assignment package. No packaged releases yet, but there are scripts in the Sourceforge CVS@ http://sparkyscripts.cvs.sourceforge.net/sparkyscripts
    Downloads: 0 This Week
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  • 5
    A tool to calculate atoms exposition to a probe in a three dimensional molecule structure.
    Downloads: 0 This Week
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  • 6
    XD-shell - is a shell (console) interface to XD program which deals with experimental electron density refinement.
    Downloads: 0 This Week
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  • 7
    PyDespike is a cross platform (Windows, Mac, Linux) program written in Python using the PyQt and PyQwt libraries used to graphically process (despike) raman or other spectroscopic data in an efficient manner.
    Downloads: 0 This Week
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  • 8
    Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.
    Downloads: 0 This Week
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  • 9
    defunct
    Downloads: 0 This Week
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  • 10
    Frowns is a chemoinformatics system written almost entirely in python.
    Downloads: 0 This Week
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  • 11
    Modama is a new software project for processing and analysing 2d detector data (images) provided by any available detectors, mainly SAX and WAX.
    Downloads: 0 This Week
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  • 12
    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: 0 This Week
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  • 13
    Real-time data visualization. Graphically view your data as it's being generated. Peakster is a very intuitive GUI written entirely in Python, which monitors data at regular intervals and uses gnuplot to render 2D, 3D and superimposed plots.
    Downloads: 0 This Week
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  • 14
    this is a small project which provides several mathematical function useful for a chemist or somebody working with mass specs. The goal is to provide several cuda and c based functions which can be easily accessed using java, groovy and python.
    Downloads: 0 This Week
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  • 15
    Refl2EXAFS is an utility for the analysis of extended x-ray absorption fine structure (EXAFS) data collected in total reflection mode (reflEXAFS).
    Downloads: 0 This Week
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  • 16
    Free wastewater treatment plant simulator and modelling environment
    Downloads: 0 This Week
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