Search Results for "fitting"

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.

...Zgoubi simulates beam dynamics and polarization in a variety of accelerators (storage ring, synchrotron, cyclotron, betatron, microtron, FFAG, multi-pass ERL, etc) and optical systems (beam lines, magnetic and electrostatic optical components, time-of-flight and mass spectrometers, etc). The code includes built-in fitting procedures with a wide variety of constraints; stochastic SR energy loss; the tracking of synchrotron radiation (SR) Poynting vector; space charge models; various Monte Carlo procedures, etc. Contact: francoisgmeot@gmail.com Documentation (History of accelerators that zgoubi deals with, theory, tutorials): https://link.springer.com/book/10.1007/978-3-031-59979-8 https://link.springer.com/book/10.1007/978-3-031-16715-7, Chap. 14.

Eleana is a program for manipulating, modifying and analyzing various spectroscopic data, in particular electron paramagnetic resonance spectra. It allows you to import data from Bruker spectrometers such as Elexsys or EMX and data from any ASCII file or imported from the clipboard. The program is under constant development, but already has many functions implemented for spectral analysis. Some of the basic functions include: baseline corrections, filtering, spectral clipping, integration /...

Blueprint XAS is a Matlab-based suite designed for the processing and analysis of near-edge x-ray absorption spectroscopy (XAS) data. The suite is designed primarily to assist users in exploring reasonable fit solutions while minimizing user bias.

...The developed tools include: 1) generator 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.

Analysis software for MRS/NMR data. Allows processing and fitting to be performed in a fully automatic workflow.

...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/EigenLab). Convenient simulation and summarization across 2-dimensional sets of stimulus conditions makes constructing stimulus-response curves incredibly simple. For ion channels, this is useful for simulating dose-response or current-voltage curves both with and without a secondary stimulus (e.g. some drug). ...

Gaussian Process model for fitting deterministic simulator output. Establish efficient and reliable likelihood optimization through hybridized DIRECT-BFGS and multi-start BFGS algorithms. Programming Language: Matlab.

This MATLAB script calculates pressure as a function of time inside a submerged membrane-bound compartment containing an aqueous PEG solution as an osmotic driver. It can also be used to calculate a membrane's hydraulic permeability by fitting experimental data. The model used accounts for the dilution effects caused by the compartment's expansion. All of this project's resources can be found in the "Files" section.

SIMulation of Biological systems (developed at the TU Munich) This program allows to define ODE-models or stochastic compartemental models of biological processes, to simulate, to fit data and to do some statistics (fitting and statistics for deterministic models only).

SimulME is a Java ME (J2ME) application with Queueing calculator, Stopwatch, Monte Carlo simulation, Random Number Generator (RNG), Probability distributions, Kolmogorov-Smirnov and Chi-square tests. It works with MIDP 2.0 and CLDC 1.1 profiles.

Tissue Modeling Tool (TMT) is a Matlab-based open source project aiming to share constitutive modeling code and algorithms within the tissue biomechanics community. It is meant to be modular, fast, and easily extensible.

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)

Its a model fitting framework which optimizes the model parameters to make the model output match the desired data.

A set of self-contained C++ routines to sample and resolve functions properly for plotting, as well as curve fitting routines that fit spectral features. This is mainly useful for scientific simulations where spectral data need to be fully resolved.