Search Results for "fitting"
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Showing 20 open source projects for "fitting"
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GenX
X-Ray and Neutron Reflectivity Modeling
GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program. -
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PyNanoLab
data analysis and Visualization with matplotlib
PyNanoLab contains a variety of tools to complete the data analysis, statistics, curve fitting, and basic machine learning application. Visualization in pynanolab is based on matplotlib. The setup tools is desinged to control and set-up all the details of the figure with a GUI. -
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relax
Molecular dynamics by NMR data analysis
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using... -
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KherveFitting
Open source software to fit Xray photoelectron spectroscopy (XPS) data
KherveFitting is a fully Open Source XPS Fitting software that is simple , snappy, easy to use and available across all platforms (Windows, Mac OS, Linux). The software is written in Python using well known libraries: Numpy, lmfit, matplotlib, panda. KherveFitting can open Excel files (.xlsx) or import/convert VAMAS files (.vms) into Excel format. Four background types available: Linear, Shirley, Smart, Adaptive Smart. Drag the red lines on the plot to set the background range. Fit... -
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QtiPlot is a user-friendly, platform independent data analysis and visualization application similar to the non-free Windows program Origin.
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ParamIT
a Toolset for Molecular Mechanical Force Field Parameterization
... of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. The usage of these tools decreases the labor effort, lowers manual input errors and reduces the time needed for accurate MM parameterization efforts. -
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plot.py
direct data plotting and evaluation
... fitting, integration and differentiation, peak-finder and more. User python code can be executed in the integrated IPython console. -
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YFitter
Fitting Y chromosome haplogroups by maximum likelihood
Yfitter is a program for assigning Y chromosome haplogroups to individuals sequenced at low coverage. It is designed to be used in a samtools/bcftools pipeline. Yfitter also supports haplogrouping using chip genotype data. -
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!!! PTEROS DEVELOPMENT MOVED TO GITHUB !!! New project page: https://github.com/yesint/pteros New documentation page: https://yesint.github.io/pteros/ Pteros is the C++ library for custom molecular modeling and simulations codes designed for researchers, not for C++ gurus. Provides facilities for PDB, XTC and TRR files IO, powerful selections, geometry transformations, RMSD fitting and alignment, etc.
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SciEnPlot
Data Plotting and Analysis for Science and Engineering
- Save and open a Work/Project (spf) file - Single fitting/ Batch fitting (user defined custom func) - Matrix to XYZ in Tool menu - Symbol plot: makers, curve, landscape, bar, etc. - Implemented a 3d surface plot (GLSurface) based on OpenGL (ScienPlot v1.3.2 and above) - ColorMap surface, trisurface, Pie, Polar plots, and 3D height field, 3dBar, scatter plots (under developing), and more - Column by column plotting/calculation - LaTex commands enclosed by $ symbols can be used... -
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pure python polyfit
python2/3: compute polyfit (1D, 2D, N-D) without thirdparty libraries
python2/3: compute polyfit (1D, 2D, N-D) without any thirdparty library like numpy, scipy etc. also can be used for least squares solution computation and for A=QR matrix decomposition. Tested with python 2.7 and 3.4 Consider donating to this project: https://sourceforge.net/p/purepythonpolyfit/donation For a Sample use, refer to the WIKI -
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fitGCP
Fitting genome coverage distributions with mixture models
... this information accessible can improve the quality of sequencing experiments and quantitative analyses. fitGCP is a framework for fitting mixtures of probability distributions to genome coverage profiles. Besides commonly used distributions, fitGCP uses distributions tailored to account for common artifacts. The mixture models are iteratively fitted based on the Expectation-Maximization algorithm. Please find the accompanying paper here: http://dx.doi.org/10.1093/bioinformatics/btt147 -
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Galactus
A neutral hydrogen galaxy modeling and fitting tool
Galactus is a new astronomical modeling package. The aim is to model and fit datacubes from radio synthesis telescopes. Galactus is the only HI tool which can predict the HI (self-)absorption. -
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GUI for DEDA
GUI for DEmography Data Analysis
<This project has been completely rewrote and transformed into a new one: https://sourceforge.net/projects/deday/. 2013/06/26> The graphic user interface for DEDA (DEmography Data Analysis), a scientific software package fitting survivalship data to a number of distributions using maximum likelihood (ML) method. Currently, Weibull (2p), Gompertz and Gompertz-Makeham are supported. IMPORTANT NOTICE: Only the GUI is provided here. In order to perform the analysis, one also need the DEDA... -
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This is a set of scripts that helps with processing of NMR pH titration data. These scripts allow for fitting (using R) and plotting of data of multiple residues. The program needs to be made more user friendly.
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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.
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Helps compatibility with Vernier's Graphical Analysis and Logger Pro software. Includes a converter to extract important data out of Vernier .ga3 and .cmbl data files, and spreadsheet to analyze the data with tables, graphs, and curve fitting.
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pyPulsar is a program for simulation and fitting of solid-state NMR spectra. It provides scripting facilities using Python. (This project was not developed for a long time: It will be soon moved in a new project currently developed)
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OCFit
Python package for fitting of O-C diagrams.
Python package OCFit includes 4 classes for analysis and fitting of O-C diagrams of Eclipsing binaries In a case of using this package for scientific purposes, please, cite our paper Gajdoš & Parimucha (2018) where you can also find more detail description about fitting functions and used models. For install it, download/clone this repository or download suitable binary file from releases. Not working yet! The first release comming soon... Requirements numpy matplotlib... -
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