Showing 396 open source projects for "x86_64-linux-gnu"

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  • 1

    The Chemicals Database

    An Open Source "product catalogue" that is customizable and versatile.

    ... formats and protocols. It is freely available under the terms and conditions of the GNU Public License (GPL v2), thus being open for extensions and custom modifications.
    Downloads: 0 This Week
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  • 2
    '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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  • 3
    bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite
    Downloads: 0 This Week
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  • 4
    The Analyses Database is a collection of software to archive and to track rawdata files from analytical instruments. The system is set up using freely accessible tools - MySQL, apache, PHP, Linux. Several utilities for MS Windows are provided.
    Downloads: 0 This Week
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  • ManageEngine Endpoint Central for IT Professionals Icon
    ManageEngine Endpoint Central for IT Professionals

    A one-stop Unified Endpoint Management (UEM) solution

    ManageEngine's Endpoint Central is a Unified Endpoint Management Solution, that takes care of enterprise mobility management (including all features of mobile application management and mobile device management), as well as client management for a diversified range of endpoints - mobile devices, laptops, computers, tablets, server machines etc. With ManageEngine Endpoint Central, users can automate their regular desktop management routines like distributing software, installing patches, managing IT assets, imaging and deploying OS, and more.
  • 5
    hr ("High Resolution") is a small command-line utility to calculate possible elemental compositions for a given mass. 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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  • 6
    cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.
    Downloads: 0 This Week
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  • 7
     VASPMO

    VASPMO

    Visualization of wavefunctions calculated by VASP (New release: v0.41)

    VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of...
    Downloads: 4 This Week
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  • 8
    MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
    Downloads: 0 This Week
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  • 9
    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: 121 This Week
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  • Propelling Payments for Software Platforms Icon
    Propelling Payments for Software Platforms

    For SaaS businesses to monetize payments through its turnkey PayFac-as-a-Service solution.

    Exact Payments delivers easy-to-integrate embedded payment solutions enabling you to rapidly onboard merchants, instantly activate a variety of payment methods and accelerate your revenue — delivering an end-to-end payment processing platform for SaaS businesses.
  • 10
    VMS Draw

    VMS Draw

    user-friendly access to the latest computational spectroscopy tools

    VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers. Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set...
    Downloads: 4 This Week
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  • 11
    wxProdOp

    wxProdOp

    NMR Product Operator Calculator

    The program does nmr product operator calculations for one, two, three and four spins. Receiver phase cycling is possible in conjunction with pulse phase cycling to simulate coherence pathway selection. An extensive manual and help files are included. Currently running under Linux and Windows.
    Downloads: 2 This Week
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  • 12
    chethermo

    chethermo

    Software for Introductory Chemical Engineering Thermodynamics

    Introductory Chemical Engineering Thermodynamics helps readers master the fundamentals of applied thermodynamics as practice today. The text is distinctive in making the molecular perspectives accessible at the introductory level and connecting properties with practical applications. This site distributes the software for the textbook. If you are a 'user', then you want to download the archive from 'Download' icon or the 'Files' link. If you want the latest version of a particular file,...
    Downloads: 12 This Week
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  • 13
    Cantera
    Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
    Downloads: 7 This Week
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  • 14
    Downloads: 11 This Week
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  • 15
    geostd is an open-source set of restraints for molecules involved in macromolecular structure refinement. The restraints reduce the number of variables making the solution of protein structures a more tractable process.
    Downloads: 0 This Week
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  • 16
    Fast and efficient 3D pharmacophore search developed by the Camacho Lab (http://smoothdock.ccbb.pitt.edu) at the University of Pittsburgh. Source code is available through the svn repository.
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    Downloads: 4 This Week
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  • 17
    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.
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    Downloads: 2 This Week
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  • 18
    sciNote

    sciNote

    Open source electronic lab notebook (ELN) for scientists

    sciNote is an open source electronic lab notebook (ELN) that helps you manage your laboratory work and stores all your experimental data in one place. sciNote is specifically designed for life science students, researchers, lab technicians and group leaders.
    Downloads: 5 This Week
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  • 19
    APBS

    APBS

    Biomolecular electrostatics software

    This software has moved to http://www.poissonboltzmann.org/.
    Downloads: 0 This Week
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  • 20
    PolyJen: Polymerization in a digital laboratory
    Downloads: 0 This Week
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  • 21
    QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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    Downloads: 4 This Week
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  • 22
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
    Downloads: 0 This Week
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  • 23
    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...
    Downloads: 4 This Week
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  • 24
    JSpecView Project

    JSpecView Project

    Spectroscopy Viewer

    The JSpecView Project initially provided JAVA applets for the display of JCAMP-DX and AnIML/CML spectral files. The source and binary files are available via the Code (sourceforge SVN) and Files menu options. See the WIKI pages (Hosted Apps) for more detail. Beginning September 2018 all code changes are being handled via the Jmol Sourceforge page. The codes has been fully merged and JSmol the JavaScript/HTML5 version of Jmol now includes the non-Java version of JSpecView.
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    Downloads: 10 This Week
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  • 25
    CueMol

    CueMol

    CueMol - Molecular Visualization Framework

    CueMol - Molecular Visualization Framework based on OpenGL, Mozilla XULRunner, and javascript
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    Downloads: 22 This Week
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