Showing 123 open source projects for "python data analysis"

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  • 1
    Gavrog stands for "Generation, Analysis and Visualization of Reticular Ornaments using Gavrog". It is a Java library together with a suite of interactive applications for the study of periodic net-like structures in space and their applications.
    Downloads: 7 This Week
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  • 2
    Python module for manipulation of Crystallographic Information Framework (CIF) files
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    Downloads: 0 This Week
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  • 3
    Chemitorium
    Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
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    Downloads: 1 This Week
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  • 4
    The Xtal System is a comprehensive suite of small molecule structural solution, refinement and analysis software, supporting both X-ray, neutron and electron diffraction data. It runs on both Unix and MS Win32 platforms and uses tcl/tk graphics.
    Downloads: 2 This Week
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  • 5
    Databases to aid Metabolomics projects providing storage functionality for raw and preprocessed data, and integration with existing data analysis environments.
    Downloads: 3 This Week
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  • 6
    PySpline is a graphical, cross-platform program for processing X-ray absorption spectroscopy (XAS) and Extended X-ray absorption fine structure (EXAFS) data. It allows processing parameters to be adjusted and observe the effect on R-space data.
    Downloads: 0 This Week
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  • 7
    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.
    Downloads: 5 This Week
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  • 8
    Fityk
    The repository has been moved to: https://github.com/wojdyr/fityk. Fityk is nonlinear curve-fitting and data analysis software. It is specialized in fitting peaks (bell-shaped functions like Gaussian, Loretzian, Pearson7, Voigt) to experimental data.
    Downloads: 3 This Week
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  • 9
    PocketAnalyzerPCA combines a geometric algorithm for detecting pockets in proteins with Principal Component Analysis and clustering. This enables visualization and analysis of pocket conformational distributions of large sets of protein structures.
    Downloads: 0 This Week
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  • 10
    Framework for uncertainty propagation in predictive models targeted for collaborative science
    Downloads: 0 This Week
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  • 11
    Methods and testing of methods for automatic analysis of in situ cyclic voltammetry data. This, at least initially, is the code from my masters thesis, which was done as a contribution to a larger project called Aevum. Aevum is being developed at t
    Downloads: 0 This Week
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  • 12
    Fitta is a program for making and plotting statistical fits, simple and weighted fit, high quality plots thanks to the matplotlib library
    Downloads: 0 This Week
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  • 13
    pyitc is designed for processing and analysing isothermal titration calorimetry experimental data (Microcal instruments).
    Downloads: 0 This Week
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  • 14
    bni-tools
    --UPDATE-- New Version is now integrated in the official PyMOL plugin repository! --UPDATE-- The BNI (Beyond Normal Interaction)- Tools is a plug in for the PyMOL molecular visualization system which adds additional functionalities and presets to the PyMOL GUI and also adds useful extended commands.
    Downloads: 0 This Week
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  • 15
    OpenThermo

    OpenThermo

    Statistical thermodynamics package

    OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation
    Downloads: 0 This Week
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  • 16
    EXTREMA is an interactive program with publication quality graphics and mathematical analysis capabilities. EXTREMA can be GUI and/or command driven. The command language includes conditional branching, looping and subroutine calling constructs.
    Downloads: 2 This Week
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  • 17
    A tool for visualization, classification, and quantification of three-dimensional secondary ion mass spectrometry data.
    Downloads: 0 This Week
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  • 18
    FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.
    Downloads: 0 This Week
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  • 19
    A univariate and multivariate analysis UI. This project is no longer under development. Please use as you wish.
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    Downloads: 6 This Week
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  • 20
    This software can be used to calculate thermochemical and kinetic quantities like, enthalpy, entropy, heat capacity and transition state theory rate constants from spectroscopic/quantum data.
    Downloads: 1 This Week
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  • 21
    Python program for fitting rate constants to primarily kinetic data as 1st or 2nd order kinetics or autocatalysis. It also allows specific noise cancelling, data smoothing by fourrier transform, box averaging and flowing mean. For Python 2.6 or earlier.
    Downloads: 0 This Week
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  • 22
    HOT is a package of Matlab and Octave compatible functions that manage thermodynamic data for a wide range of species. Functions calculate almost all the most common thermodynamic quantities of mixtures. Python users may also want to look at PYroMat at https://chmarti1.github.io/PYroMat/index.html
    Downloads: 0 This Week
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  • 23
    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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  • 24
    The VRML97-Import-Script is a Python-Script, that extends the capabilities of Blender to import VRML97-Files. It supports Blender since version 2.42.
    Downloads: 0 This Week
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  • 25
    IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
    Downloads: 5 This Week
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