Search Results for "fit"

...Some of the basic functions include: baseline corrections, filtering, spectral clipping, integration / differentiation, pseudomodulation, filtering, etc. More advanced functions are: Forward / Inverse Fourier Transforms, Hilbert Transforms, Nonlinear Curve Fit, Global Analysis Fit of Multiple Curves, and many other. It is also possible to create your own plugins extending Eleana's functionality.

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.

This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...

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.

Keywords (XNDiff): -SAXS -SANS -absolute units -core (double)shell crystalline nanoparticles -with a parallelepidal shape -particle assemblies -powder and ensemble average -C/C++ -Unix -OpenMP -HPC Cluster Keywords (BatchMultiFit): -simultaneous fits for several SAXS and SANS curves with simulation data from XNDiff -SANS data can be smeared with dq values from experimental data sets or analytical functions -Mathematica console -local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used -range for fit parameters and further constraints between fit parameters -parallelized (typ. 4-8 threads) TODO (BatchMultiFit): -read and use errorbars from experimental data sets -allow different q-ranges for different data sets in the fits -rewrite and test in Python using e.g. the lmfit module: https://pypi.python.org/pypi/lmfit/ to get rid of Mathematica and to run it on HPC clusters

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).

...is an INRIA Scilab-based program that assists in the good design of solar electricity systems. Its primary purpose is to facilitate the accurate, appropriate sizing of these systems to fit the specific design goals that are held for them.

PajFit (Parallel Job Fit) is simple simulator for scheduling parallel jobs. It has a GUI to see the scheduling output. It supports rigid and moldable jobs, as well as advance reservations and jobs with hard deadlines.

Poor Man's HPC is a framework that allows distributing and running code on a server farm. pmHPC is a scaled down and simplified version of distributed computing projects such as SETI, so is a perfect fit for enthusiasts and universities.