Search Results for "fitting" - Page 3
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Showing 154 open source projects for "fitting"
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1
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. -
2
rims-arduino-library
Recirculation infusion mash system library for Arduino
This library implement RIMS controls for home brewers. For definition of a RIMS, see https://tinyurl.com/j3lyuyc For me, an Arduino micro controller + a LCD Keypad shield was cheaper and a lot more customizable than a commercial PID controller. So, with this library, a commercial PID controller is unnecessary. Automatic PID tuning toolkit is also included. Temperature can be read with a thermistor, a resistance temperature detector (RTD) or any custom temperature probe. Heater is... -
3
GORSK
Idiomatic Golang Restful Starter Kit
There are many ways to write a (RESTful) backend in Go. Most of the available tutorials are way too simple, with all the presented content fitting into a single file (or at most two-three). More complex examples are quite rare, and even most of them miss lots of things for the sake of reducing complexity. That’s one of the reasons I wrote Gorsk - to have a fully functional example of a RESTful backend (in Golang) utilizing best practices, idiomatic code, and minimal dependencies. Instead... -
4
easy-dhpsf
GUI for fitting 3D single-molecule images using the double-helix PSF
... localization is performed through template matching and subsequent double Gaussian fitting - Tiff stacks of SM images are analyzed using template matching followed by double-Gaussian fitting to extract estimates of the molecule positions - Two spectral channels are registered by generating a locally-weighted quadratic mapping function from control point pairs -
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5
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. -
6
Masonry
A cascading grid layout plugin
Masonry is a JavaScript grid layout library. It works by placing elements in optimal position based on available vertical space, sort of like a mason fitting stones in a wall. You’ve probably seen it in use all over the Internet. All sizing and styling of items is handled by your own CSS. tem sizes can be set with percentages for responsive layouts. With the masonry layout mode, set percentage-width columnWidth with element sizing. Set percentPosition: true so item positions are likewise set... -
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HBV interventions model
ODE HBV model and MCMC for fitting HBsAg, HBcAg and HBeAg data.
This code implements the MCMC and ordinary differential equation (ODE) model described in [1]. The core MCMC and ODE code is implemented in C/C++, and is wrapped with an R front end. This is not an R-package (although there are plans to extend the code and eventually make it into an R-package). Please read the PDF file supplied for further instructions on how to use this code. [1] HBV vaccination and PMTCT as elimination tools in the presence of HIV: insights from a clinical cohort and... -
8
pnData
A Matlab written tool to analyze data taken by the pnCCD detector.
test_gui is a modular tool for pnCCD data handling. It uses IDL type files (later 'frame' files). It plots and calculates different parameters related to XRF and XRD. A series of modules are attached for fitting and visualization. Test version 1 of this tool will be updated based on users needs. -
9
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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10
lmfit - least squares fitting
Levenberg-Marquardt least squares minimization amd curve fitting.
A self-contained C library for Levenberg-Marquardt least-squares minimization and curve fitting. To minimize arbitrary user-provided functions, or to fit user-provided data. No need to provide derivatives. With application examples. -
11
2D Statistical Models. Building: shape model, texture model and concatenated appearance model; Fitting: 1D profile ASM, 2D profile ASM, direct local texture constrained(LTC) ASM, basic AAM, ICIA AAM, IAIA AAM, etc.
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12
clmtrackr
Javascript library for precise tracking of facial features
clmtrackr is a javascript library for fitting facial models to faces in videos or images. It currently is an implementation of constrained local models fitted by regularized landmark mean-shift, as described in Jason M. Saragih's paper. clmtrackr tracks a face and outputs the coordinate positions of the face model as an array. The library provides some generic face models that were trained on the MUCT database and some additional self-annotated images. Check out clmtools for building your own... -
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TARQUIN
MRS/NMR analysis software
Analysis software for MRS/NMR data. Allows processing and fitting to be performed in a fully automatic workflow. -
14
Particle Emitter Testing Program
This program was made to test animated sprites for a particle system.
-----------------------INSTRUCTIONS----------------------- When using the program, the closer your cursor is to the left of the window, the more narrow the particle stream becomes, and moving your cursor up and down aims the emitter to fire in the direction of your cursor. Particles will fire to the sound of fitting music. It's recommended you run the .exe in the folder named "executable" -
15
irayMol
Molecular visualization
Analyses and Interactive visualizations of the structures, functions and actions of biomolecules including molecular surface computation, and protein-ligand interface and protein-ligand docking where the ligand could a small compound, a nucleic acid, membrane and other proteins, written in C++/Qt/openGL/GLSL with more than 125,000 lines of codes. In addition to Qt, the only external library needed is GSL everything else is coded from the scratch. -
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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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SloppyCell is a complete environment for building models of biochemical systems, fitting them to data, and extracting falsifiable predictions via a parameter ensemble. SBML l2v1 compatible.
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18
BasisFit
Quantum chemistry utility program
BasisFit extracts molecular orbitals from a GAMESS data file and constructs near-identical orbitals from an alternative basis set using least-squares fitting of the new basis functions to the old. This is particularly useful for generating physically sensible starting orbitals for CASSCF calculations from atomic minimal basis Hartree-Fock orbitals, but can be used to convert any converged set of orbitals from one basis to another. -
19
INFOS
NMR spectrum fitting software
NOW COMPILED FOR USERS WITHOUT A MATLAB LICENSE! Download INFOS_comp_***.zip. INFOS is a set of programs for fitting NMR spectra in MATLAB. INFOS improves on existing methods by calculating peak shapes using acquisition and processing parameters, therefore leading to better fits. Additionally, INFOS can determine the peak list for fitting, by using iterative refinement of the list in order to improve the fit without overfitting. INFOS also can be used to analyze error of fit parameters, can... -
20
Kinetic Model Builder
GUI for building, simulating and optimizing kinetic models.
A 3D graphical interface for building, simulating and optimizing Markov kinetic models in response to user defined time dependent stimuli. Models can be represented as either states and connecting transitions or interacting allosteric elements (see http://dx.doi.org/10.1085/jgp.201411183). Model parameters can be optimized by fitting model responses to user data. Optional user defined constraint equations for model parameters are parsed with EigenLab (https://github.com/marcel-goldschen-ohm... -
21
TraceX
MatLab App for calculating fitting isotopic exchange profile data
MatLab App for calculating fitting isotopic exchange profile data. Developed for measuring self-diffusivity and effective surface exchange coefficient of ion conducting materials. Requires MatLab image processing toolbox If you use this tool for you research, please cite my PhD thesis: Cooper, S. J. Quantifying the Transport Properties of Solid Oxide Fuel Cell Electrodes. (Imperial College London, 2015). @phdthesis{SJCooper2015, author = {Cooper, S. J.}, number = {November... -
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orthos
Simulation of EPR spectra of nitroxide biradicals
The program Orthos is developed to performed simulation (including nonlinear least-squares fitting) of EPR spectra of nitroxide biradicals. The program capabilities include simulation of rigid-limit and slow-motional spectra, of both isotropic and aligned samples. The spectra of multiple paramagnetic species, both bi- and monoradicals can be modeled. NB: Please note that now (as of Nov 2016) the distribution is being updated so that to improve reliability, OS-universality, and the quality... -
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SWRC Fit is a scientific tool for hydrologist. It fits several soil hydraulic models to measured soil water retention data by nonlinear fitting. It is written in numerical calculation language GNU Octave. Web interface is also available.
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EDM Calibration Baseline Fitting
EDMFit is an adjustment tool to estimate EDM calibration parameters.
An EDM calibration baseline is used to derive specific instrument errors of the electronic distance measurement (EDM) unit of a total station. EDMFit is a simple adjustment tool to estimate the EDM calibration parameters (addition constant and/or scale parameter). The adjustment process is according to ISO 17123-4. The parameters are checked for significance, to avoid an overestimation. Based on two classical hypothesis testing, EDMFit provides a reliable outlier detection. For... -
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Savuka-VirtualBox
Virtual Box VDI of SliTaz Linux with Savuka installed and configured
Savuka global analysis software (www.osmanbilsel.net) is installed and configured in a light version of SliTaz linux (www.SliTaz.org). root name: root root password: root username: tux password: root Instructions: -Download and install 7zip (www.7-zip.org) -Extract files to HDD -Install included VirtualBox (not tested on other versions, but shouldn't matter) -Within VirtualBox make a new machine ----Machine/New --------Name: Savuka / Type: Linux / Version: Other Linux...