Showing 24 open source projects for "mysql for python 3"

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  • 1
    WavePacket (C++/Python)

    WavePacket (C++/Python)

    Time-dependent simulation of open and closed quantum systems

    WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics...
    Downloads: 4 This Week
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  • 2
    ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
    Downloads: 0 This Week
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  • 3
    labman2

    labman2

    A web database for experimental results of research

    A database with a web interface for storing the experimental results of research, aimed at ease of adding new types of data. Goal is to make adding as simple as one day for an unexperienced in programming scientist to add a new type of data similar to an existing type, by preparing two - three files analogues to the existing ones. An experienced programmer should need only one day to one week for adding a totally new kind of data like arrays with more dimensions that was available before.
    Downloads: 0 This Week
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  • 4
    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.
    Downloads: 0 This Week
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  • 5

    Mathpad

    A Python based command line math utility.

    Mathpad is a command line utility. It will later have a GUI, but not at this time.
    Downloads: 3 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...
    Downloads: 32 This Week
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  • 7
    ASCEND modelling environment
    ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provid
    Downloads: 0 This Week
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  • 8

    nwbas2ecce

    nwbas2ecce converts nwchem basis set files to the ECCE format

    The basis sets included with ECCE have -- as far as I can tell -- not been updated for many years. In addition, many of the newer basis sets that come with nwchem aren't included, such as the def2- series. nwbas2ecce is a python script that aims to automate as much as possible of the conversion process of a nwchem basis set file into the files necessary for ECCE to included it in the basis set tool. The process isn't completely automatic, but I also believe that it shouldn't be to...
    Downloads: 0 This Week
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  • 9
    The pySpec project is a set of data analysis routines written in python for analysis of x-ray diffraction data produced by the SPEC X-Ray Diffraction and Data Acquisition software. This repo has moved to : https://github.com/stuwilkins/pyspec
    Downloads: 0 This Week
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  • 10
    The EvoGrid is an effort to develop a distributed simulation system to simulate potential pre-biotic chemical environments.
    Downloads: 0 This Week
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  • 11
    A tool for visualization, classification, and quantification of three-dimensional secondary ion mass spectrometry data.
    Downloads: 0 This Week
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  • 12
    dmaControl is a DMA (differential mobility analyzer) control software for aerosol measurements.
    Downloads: 0 This Week
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  • 13
    A univariate and multivariate analysis UI. This project is no longer under development. Please use as you wish.
    Downloads: 3 This Week
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  • 14
    Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.
    Downloads: 0 This Week
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  • 15
    TheoChemPy is a python library providing common functionalities for Theoretical and Computational chemists.
    Downloads: 0 This Week
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  • 16
    Vimes: Visual interface to materials simulations - An open source, python/Open GL interface to molecular and materials simulation programs
    Downloads: 0 This Week
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  • 17
    Goldify is a set of tools that allow automated addition of links into electronic documents. Its main purpose is to allow such addition of links into documents that wish to link to the IUPAC GoldBook (http://goldbook.iupac.org).
    Downloads: 0 This Week
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  • 18
    This project is A Mitochondrial OxydoReduction Simulation System. It consists of two linked projects: a program for displaying and analysing large biomolecular systems (Floral) and a multi-agent simulator for biomolecular oxydoreduction systems (AMORSS).
    Downloads: 0 This Week
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  • 19
    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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  • 20
    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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  • 21
    A tool to calculate atoms exposition to a probe in a three dimensional molecule structure.
    Downloads: 0 This Week
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  • 22
    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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  • 23
    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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  • 24
    This a python based Molecular simulator in the first stages of devlopment,right now the little simulator engine is capable of: viewing of .MOL files with rendering ,Analyses of bend length,Calculation of Energies
    Downloads: 0 This Week
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