223 programs for "open-lates" with 2 filters applied:

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  • 1
    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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  • 2
    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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  • 3
    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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  • 4
    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: 109 This Week
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  • 5
    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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  • 6
    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: 6 This Week
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  • 7
    PolyJen: Polymerization in a digital laboratory
    Downloads: 0 This Week
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  • 8
    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: 1 This Week
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  • 9
    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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  • 10
    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: 51 This Week
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  • 11
    Effectopedia
    Effectopedia is open knowledge aggregation and collaboration tool that provides a means of describing adverse outcome pathways in encyclopedic manner.
    Downloads: 5 This Week
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  • 12
    OpenChrom
    OpenChrom is a tool for gas chromatography and mass spectrometry. The focus is to handle data files from different GC/MS and GC/FID systems and vendors. Its functionality and algorithms can be extended using a flexible plugin approach, based on Eclipse RCP.
    Downloads: 16 This Week
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  • 13
    eq-diagr

    eq-diagr

    Chemical Equilibrium Diagrams

    Create chemical equilibrium and predominance area diagrams easily
    Downloads: 0 This Week
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  • 14
    chemicalInventory is a chemical intelligent tool for managing chemical inventories. Main features: Find chemicals via substructure or text searches. Manage container and shelf locations, check containers in and out or transfer containers between users.
    Downloads: 0 This Week
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  • 15
    MatNMR is a highly flexible toolbox for processing 1D and 2D NMR/EPR spectra in MATLAB and creating high-quality 1D, 2D or 3D plots. Fully GUI and/or script-based.
    Downloads: 8 This Week
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  • 16
    EChem++ is a software system based on an object oriented approach to electrochemical experimentation, simulation, and data analysis. Currently, development emphasis lies on the modelling and simulation as well as the analysis modules.
    Downloads: 0 This Week
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  • 17

    Collaborative Computing Project for NMR

    Collaborative Computing Project for NMR (CCPN)

    The Collaborative Computational Project for NMR (CCPN) provides tools and knowledge to maximise the impact of the biological NMR studies. The CCPN software facilitates data analysis and software integration. The project actively promotes the exchange of knowledge and provides training and best practices for the NMR community. CCPN also has a leading role in the development of a NMR data-sharing standard and coordination of NMR instrumentation proposals for RCUK and BIS. The 28 partners of...
    Downloads: 0 This Week
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  • 18
    pteros
    !!! PTEROS DEVELOPMENT MOVED TO GITHUB !!! New project page: https://github.com/yesint/pteros New documentation page: https://yesint.github.io/pteros/ Pteros is the C++ library for custom molecular modeling and simulations codes designed for researchers, not for C++ gurus. Provides facilities for PDB, XTC and TRR files IO, powerful selections, geometry transformations, RMSD fitting and alignment, etc.
    Downloads: 0 This Week
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  • 19
    Periodic Table Of Elements 4 Mathematica

    Periodic Table Of Elements 4 Mathematica

    generates nice period table from given data

    PTE-1.5 is for Mathematica 11.1 PTE-1.4 and prev for Mathematica 4.0 linux PTE (among other things) generates periodic tables from variable data (the data and layout can be changed for a particular subject). Includes Pauli Exclusion makers and some data. Charts can be browsed with an iPhone nicely (may need .jpg, .gif nicer). It's printable at a small size. This chart is neat, compact to print, yet has plenty of data. Layout change un-restricted but is non-interactive. which is...
    Downloads: 0 This Week
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  • 20
    Maui

    Maui

    Maui is the Maltcms User Interface

    Maui is the Maltcms User Interface, a rich client application for Chromatography-Mass Spectrometry and related research areas.
    Downloads: 0 This Week
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  • 21
    Avogadro

    Avogadro

    An intuitive molecular editor and visualization tool

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.
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    Downloads: 6,784 This Week
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  • 22

    XDrawChem

    XDrawChem is an application for chemistry drawing and analysis.

    XDrawChem is an application for drawing and analyzing chemical structures and reactions. Please visit the website for full details. Download source and binary releases here, and clone the source from GitHub at the external link above.
    Downloads: 45 This Week
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  • 23
    Open Babel
    Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, biochemistry, or related areas
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    Downloads: 786 This Week
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  • 24

    SciEx

    C++ code for object-oriented formulation of scientific experiments

    Scientific experiments are formulated as objects in C++ code. The project provides header files and libraries. Particular emphasis is put on electrochemical experiments.
    Downloads: 0 This Week
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  • 25
    An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).
    Downloads: 3 This Week
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