Showing 52 open source projects for "win32-setup.exe"

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  • 1
    Jmol

    Jmol

    An interactive viewer for three-dimensional chemical structures.

    Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other...
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    Downloads: 741 This Week
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  • 2
    The Chemistry Development Kit
    The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java. The main home page of the CDK is now at: http://cdk.github.io
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    Downloads: 46 This Week
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  • 3
    luscus

    luscus

    molecular editor and viewer

    Luscus is the program for graphical display and editing of molecular systems. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to point out a geometrical feature or a physical quantity. The program is developed as a graphical...
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    Downloads: 44 This Week
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  • 4
    Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.
    Downloads: 2 This Week
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  • Secure File Transfer for Windows with Cerberus by Redwood Icon
    Secure File Transfer for Windows with Cerberus by Redwood

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  • 5
    TOPCEE

    TOPCEE

    Python GUI tool for estimating plant CAPEX, OPEX, and profitability

    TOPCEE (Toyese Oyegoke Process Cost & Economic Evaluator) is a GUI-based Python application designed to assist chemical engineers, researchers, and students in evaluating the profitability of chemical/process plants. The app calculates capital and operational expenditures (CAPEX & OPEX) and provides key profitability metrics such as: **ROI (Return on Investment) **IRR (Internal Rate of Return) **NPV (Net Present Value) **Payback Period (Discounted and...
    Downloads: 0 This Week
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  • 6
    Charmol

    Charmol

    Program for molecular graphics

    Charmol is a cross-platform GUI/command-line based program for making high-quality pictures of molecular structures, nowadays working on Linux, MacOS and Windows. As output, it produces POV-Ray rendered images or files in VRML format. Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) -...
    Downloads: 0 This Week
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  • 7
    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: 2 This Week
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  • 8
    ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
    Downloads: 0 This Week
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  • 9
    ChemicalA

    ChemicalA

    A small tool for chemists and chemistry amateurs

    A very simple program. For balancing chemical equations and for converting units (Temperature, Weight, Pressure, Volume, Radiation, etc). It is coded with Qt Creator For Win 64 bit and Linux 64 bit, using Qt lib. I am working on a Linux version. I have tested it with Kubuntu 18.04 and 20.10 and OpenSUSE Tumbleweed. It is 64 bit. I compiled with Qt Creator. Best of all, I provide the source code and ALSO THE EXECUTABLE FOR LINUX! -Tested with Kubuntu 18.04, 20.10, 22.04 -Tested with...
    Downloads: 2 This Week
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    Enterprise-grade ITSM, for every business

    Give your IT, operations, and business teams the ability to deliver exceptional services—without the complexity.

    Freshservice is an intuitive, AI-powered platform that helps IT, operations, and business teams deliver exceptional service without the usual complexity. Automate repetitive tasks, resolve issues faster, and provide seamless support across the organization. From managing incidents and assets to driving smarter decisions, Freshservice makes it easy to stay efficient and scale with confidence.
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  • 10

    CoolingPower

    Print Steam Tables; Plot diagrams and cycles from equations of state

    CoolingPower is NOT in a condition for use at this time. A couple of bugs have been discovered that severely affect the calculation accuracy. While I troubleshoot, use at your own risk. Once completed, CoolingPower will have the capability to plot diagrams of thermodynamic properties, construct Steam Tables, and plot thermodynamic cycles. Initial fluid will be water/steam, but functionality will extend to include a variety of working fluids. CoolingPower operates in GUI format and, for...
    Downloads: 0 This Week
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  • 11

    SpectralWorks

    View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra

    Program for viewing, editing, manipulating, and analyzing absorbance spectra. Simple arithnetic includes making linear combinatins of up to 10 spectra. Advanced functions include fitting spectra as LC of standard basis spectra, singular value decomposition, Fourier transform, differentiation, integration, global fitting of 3D titration and kinetic data. Graphics features allow composing Figures and export to postscript files which can be converted to pdf, imported into photoshop for...
    Downloads: 6 This Week
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  • 12
    MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
    Downloads: 1 This Week
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  • 13
    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: 76 This Week
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  • 14
    CS-NPSA

    CS-NPSA

    Nonpolar Surface Area from Continuum Solvation

    The Continuum Solvation Nonpolar Surface Area (CS-NPSA) package is a general purpose program suite for defining and computing nonpolar surface areas based on continuum solvation models. It is based on the classification of individual surface elements representing the solvent accessible surface used for the description of the polarized charge density elements in the CS models.
    Downloads: 0 This Week
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  • 15
    CueMol

    CueMol

    CueMol - Molecular Visualization Framework

    CueMol - Molecular Visualization Framework based on OpenGL, Mozilla XULRunner, and javascript
    Downloads: 8 This Week
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  • 16
    Periodic Table of Elements

    Periodic Table of Elements

    Periodic Table of Elements a quick reference tool

    Periodic Table of Elements is a quick reference tool that allows you a quick glance to get general information about an element. The program is for educational purposes.
    Downloads: 0 This Week
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  • 17
    Morpheus search algorithm

    Morpheus search algorithm

    a mass spectrometry–based proteomics database search algorithm

    Morpheus is a mass spectrometry–based proteomics database search algorithm designed from the ground up for high-resolution tandem mass spectra. We have discovered that for high-resolution MS/MS, simple spectrum preprocessing and scoring performs superior to more complex algorithms originally developed for low-resolution MS/MS, such as Sequest, Mascot, and OMSSA. Morpheus is also very fast—up to nearly 5 times faster than OMSSA for large human datasets. It is written in C# and is available...
    Downloads: 0 This Week
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  • 18
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    The Gecko Hamaker open-source software project is a full implementation of the fully retarded Lifshitz formulations for isotropic and anisotropic plane-plane and cylinder-cylinder interactions with intervening interlayer materials, planar systems of up to 99 layers, and graded interfaces for the modeling of grain boundaries or other continuously changing systems, accompanied by a database of material optical properties spectra. The machine-readable optical property database is available...
    Downloads: 0 This Week
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  • 19

    grcarma

    A Tk frontend to MD trajectories analysis program carma

    Downloads: 0 This Week
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  • 20
    ProtoMol is an object-oriented component based framework for molecular dynamics simulations.
    Downloads: 0 This Week
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  • 21
    Animp is an OpenGL program to display movies of particles in motion where the movies are produced by adding calls to animp library routines to simulation code written in either C++ or Fortran. Animp can also display molecules read from PDB files.
    Downloads: 0 This Week
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  • 22
    Clip

    Clip

    Interactive program for evaluation of Laue diffraction patterns

    Clip is an interactive program for simulation, indexing and refinement of Laue diffraction images.
    Downloads: 9 This Week
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  • 23
    Hy3S uses advanced MPI parallelized hybrid stochastic simulation methods to quickly compute the dynamics of biochemical networks with thousands of species/reactions. Many features included (see Home Page). An easy-to-use GUI (Matlab req) is included.
    Downloads: 0 This Week
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  • 24
    LibreAquarium

    LibreAquarium

    An aquarium management software with a Simulation Model System

    SME LibreAquarium is an Aquarium management system with a Simulation Model Engine (SME) that makes a prediction of the possible measurement values for the different pollutants that affect to these aquatics systems (NO3,PO4, Fe). The simulator consults the recorded analysis to calculate a prediction of the NO3, PO4, Fe, that the these aquatic system produce. It also uses a central (fish, plant and invertebrates) database to check if the actual parameters are Ok, depending on the species...
    Downloads: 1 This Week
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  • 25
    OpenDinTest is a OpenOffice-Calc-Sheet for statistical Data-Analysis according to the german industry-norm DIN 32645. <br> <br> OpenDinTest ist eine OpenOffice-Calc-Datei zur statistischen Auswertung von Messdaten nach der DIN 32645. <br>
    Downloads: 3 This Week
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