Showing 185 open source projects for "using"

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  • 1
    Motofit co-refines Neutron and X-ray reflectometry data, using the Abeles matrix / Parratt recursion and least squares fitting (Genetic algorithm or Levenberg Marquardt). It works in the IGOR Pro environment (TM Wavemetrics).
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    Downloads: 12 This Week
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  • 2
    RINGS "Rigorous Investigation of Networks Generated using Simulations" is a scientific code developed in Fortran90/MPI to analyze the results of molecular dynamics simulations. Its main feature is the analysis of the connectivity using ring statistics.
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    Downloads: 9 This Week
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  • 3
    pfcalc is a pipe friction calculator using the Darcy-Weisbach equation. gpfcalc is a Gtk front-end for pfcalc. Qpfcalc is a Qt front-end for pfcalc.
    Downloads: 13 This Week
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  • 4
    DataMelt

    DataMelt

    Computation and Visualization environment

    ...DMelt can be used to plot functions and data in 2D and 3D, perform statistical tests, data mining, numeric computations, function minimization, linear algebra, solving systems of linear and differential equations. Linear, non-linear and symbolic regression are also available. Neural networks and various data-manipulation methods are integrated using powerful Java API. Elements of symbolic computations using Octave/Matlab scripting are supported.
    Downloads: 6 This Week
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  • Atera all-in-one platform IT management software with AI agents Icon
    Atera all-in-one platform IT management software with AI agents

    Ideal for internal IT departments or managed service providers (MSPs)

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  • 5
    JDFTx

    JDFTx

    Joint Density Functional Theory

    JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.
    Downloads: 0 This Week
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  • 6
    WaveTrain (Python)

    WaveTrain (Python)

    Quantum dynamics of chain-like systems using tensor train formats

    WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only (with or without periodic boundary conditions). This Python package is centered around tensor train (TT, or matrix product) representations of quantum-mechanical Hamiltonian operators and (stationary or time-evolving) state vectors. WaveTrain builds on the Python tensor train toolbox scikit_tt, which provides efficient construction methods, storage...
    Downloads: 0 This Week
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  • 7

    PY-Nodes

    Code for finding nodes in a material using first-principle approach.

    ...The code minimizes the function f(k), which is defined as sum of the absolute energy difference of the adjacent pairs of bands at a given k-point. Please cite the paper mentioned below while using the PY-Nodes code for your research. V. Pandey and S.K. Pandey, Comput. Phys. Commun. 283, 108570 (2023). The link of the paper: https://doi.org/10.1016/j.cpc.2022.108570
    Downloads: 1 This Week
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  • 8

    DIANNA

    software for DFA method

    DIANNA (Diffraction Analysis of Nanopowders) is a free software developed to simulate atomic models of structures from an ensemble of nanoparticles and to calculate their whole X-ray powder diffraction patterns and the radial distribution function. The main objects of investigation are the particles whose coherent scattering domains do not exceed several nm. DIANNA is based on the ab initio method using the Debye scattering equation. This method makes it possible to obtain information on the atomic structure, shape and size of nanoparticles. It can be applied also to non-periodic materials or coherently ordered structures. How to use: 1. Unzip the archive. 2. Run the "Dianna_Startup.exe" file. 3. Use "Help" through the menu. ...
    Downloads: 1 This Week
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  • 9
    QBlade

    QBlade

    Wind Turbine Rotor Design and Simulation

    QBlade 2.0 released!!!! QBlade 2.0 released!!!! QBlade 2.0 released!!!! This project page is discontinued, you find our new webpage at: https://qblade.org/ This project page wont be updated in the future, however, everything in the "Files" section and the Forum Content will remain avaliable to everyone...
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    Downloads: 42 This Week
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  • Total Network Visibility for Network Engineers and IT Managers Icon
    Total Network Visibility for Network Engineers and IT Managers

    Network monitoring and troubleshooting is hard. TotalView makes it easy.

    This means every device on your network, and every interface on every device is automatically analyzed for performance, errors, QoS, and configuration.
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  • 10
    XMD is a program for performing molecular dynamic simulations on metals and some ceramics materials at the atomic scale. It models atomic energies and dynamics using user defined pair potentialsl, EAM potentials and some hard coded potentials.
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    Downloads: 1 This Week
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  • 11
    ...The code is written to take advantage of multilevel parallelisms of the FEAST eigenvalue solver to target systems containing many distributed-memory compute nodes. The real space mesh is generated using the software tetgen.
    Downloads: 0 This Week
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  • 12

    sidmon3

    Sudden ionospheric distubance (SID) monitor

    sidmon is a python program for receiving and recording submarine-transmitter signal intensities and directions in the VLF frequency range using a computer sound card. The intensities of these signals reflect the ability of radio waves at those wavelengths to propagate in what is essentially a waveguide formed by the earth and the ionosphere above it. Fluctuations in those signal intensities and directions often reflect daytime perturbations of the ionosphere by solar processes, such as solar flares and coronal mass ejections, making VLF receivers useful tools for probing the sun and the earth's ionosphere. ...
    Downloads: 0 This Week
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  • 13
    Laser Kids

    Laser Kids

    Homemade lasers and the braniac laboratory

    ...This site is devoted to the homemade lasers. And guides where it is described how to build them step by step. Any laser described in the guides can be build from scratch using only the common accessible resources. You won't need rare crystals, optics, mirrors or anything like this. On the other hand all lasers here are the demo of the concept. (Rather) cheap, quick-and-dirty mockups. Feel free to make for them proper housing and shining handles. My task is simple - to show that lasers ARE simple. Not less not more.
    Downloads: 1 This Week
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  • 14
    Virtual Reflectometer

    Virtual Reflectometer

    Simulates basic reflectometer scans with X ray tracing.

    With Virtual Reflectometer (VR), you can simulate the basic alignment scans of a basic X ray reflectometer (diffractometer) with a Goebel mirror using ray tracing. With this program, you can characterize reflectometers and get a reflectometer-dependent overillumination correction for X Ray Reflectivity (XRR) scans. The pogram serves as an educational tool for explaining alignment and for a proper overillumination correction of XRR data. !!Paper will be referenced!!. VR can be run by code in Matlab or as a standalone app. ...
    Downloads: 2 This Week
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  • 15
    'isotope' is a small command-line utility to calculate the isotope pattern for a given chemical formula. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.
    Downloads: 0 This Week
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  • 16
    Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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    Downloads: 60 This Week
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  • 17
    Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
    Downloads: 6 This Week
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  • 18

    F3DM

    Finite Element Method on 3D Meshes

    f3dmlib is a FEM library that can read, write and analyse 3D tetrahedral meshes, minimize a given functional, and refine the resulting meshes. The minimization is parallelized with OpenMP. Three main features in unstable 1.8.x version (available via GIT): quadratic elements, periodic boundary conditions, and the solver for scalar and electromagnetic wave equations. f3dmgeom is a collection of a few simple tools for creating surface meshes for tetgen. It can handle simple geometries only.
    Downloads: 0 This Week
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  • 19

    htcontrol

    controls high-temperature single-crystal XRD experiments using IPDSII

    htcontrol is a software to control high-temperature single crystal XRD experiments on a STOE IPDS II or 2T diffractometer platform. A Manson SDP2210 power unit is needed as well as the ICP DAS I7019 data acquisition interface (amount of investment approx. 600 EUR). htcontrol is written in Perl and runs on a cygwin platform to be installed on the WinXP/10 host. Data collections are performed with Stoe's WinXpose (>=1.7.3) via the non-interactive XML interface. For details see: J. Appl....
    Downloads: 0 This Week
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  • 20
    easy-dhpsf

    easy-dhpsf

    GUI for fitting 3D single-molecule images using the double-helix PSF

    This package of MATLAB routines with accompanying GUI allows scientific users to measure the 3D location of single molecules when using the double-helix point spread function (DH-PSF) widefield microscope. Version 2 also includes code that facilitates combining localization data from two spectral channels using a locally-weighted quadratic 3D registration function Features - Double-Gaussian estimator is calibrated via an axial scan of bright immobile fluorescent emitters (e.g. beads) - DH 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
    Downloads: 1 This Week
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  • 21
    KoBra
    This is a standalone program for a) the calculation of diffusion coefficients of sorbates inside nanoporous materials at different loadings by using transition rate constants and for b) solving the master equation for a system consisted of a large number of unit cells per each direction. It is based on the following published paper "Kolokathis, P. D., Braun, O. M.. J. Comput. Chem. 2019, 40, 2053– 2066. DOI: 10.1002/jcc.25857"
    Downloads: 1 This Week
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  • 22

    Xoptfoil

    Airfoil optimization with Xfoil

    Airfoil optimization using the highly-regarded Xfoil engine for aerodynamic calculations. Starting with a seed airfoil, Xoptfoil uses particle swarm, genetic algorithm and direct search methodologies to perturb the geometry and maximize performance. The user selects a number of operating points over which to optimize, desired constraints, and the optimizer does the rest.
    Downloads: 5 This Week
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  • 23

    AnharmoniCAOS

    Cagliari-Orsay model for anharmonic molecular spectra in 2nd order PT

    Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances).
    Downloads: 0 This Week
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  • 24
    QualityControlForRadiology

    QualityControlForRadiology

    QC tests and patient doses from radiodiagnostic XRay equipment

    This software performs various quality control tests for XRay devices used in radiography, mammography, fluoroscopy and CT such as: HVL/tube filtration, high voltage, exposure time, tube output, MTF calculations, film sensitometry, AEC devices and more. It also compute patient doses using an external program based on the GEANT4 simulation toolkit. This program is found here: https://sourceforge.net/projects/doseinhumanbody/ Read the "README" file for details. Source code and documentation included. Also, available on GitHub: https://github.com/ZiliasTheSaint/RadQC.git Check out for dependent module!
    Downloads: 1 This Week
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  • 25
    RadiationHelper

    RadiationHelper

    Alpha, Beta, Gamma measurements and Nuclide exposure

    RadiationHelper is a data analysis tool for : 1. gross alpha and beta radiation measurement and detector calibration using experimental data (counts acquired by alpha-beta devices). 2. gamma spectroscopy measurements and detector calibration using experimental data (spectra acquired by acquisition software such as Assayer, Gamma Vision, Maestro) 3. gross alpha,beta, gamma detector efficiencies and gamma peak efficiency can be theoretical computed using Monte-Carlo simulation technique for radiation transport (based on EGSnrc toolkit) 4.dose assessment in human body exposed to radiations from nuclides in several common scenarios such as air exposure, water submersion, ground surface, internal ingestion or inhalation. 5. quick dosimetry and shielding computations. ...
    Downloads: 0 This Week
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