Showing 13 open source projects for "internet"

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  • 1
    AMBIT:Chemical Structure DB&Web Service

    AMBIT:Chemical Structure DB&Web Service

    Chemical structures database & machine learning with web services API

    AMBIT offers a cheminformatics data management for chemical substances, structures and nanomaterials. Flexible structure, similarity and study queries storage, descriptor calculation and predictive models building via REST web services.User interface for creating read across assessment and generating reports, aligned with regulatory and industrial requirements. Command line applications also available. Integration with third party tools and databases.
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    Downloads: 1 This Week
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  • 2

    The Chemicals Database

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

    The Chemicals Database is a simple yet effective approach to track a stock of products. It provides a "product catalogue" that is accessible from any workplace over Intranet (http) and the server can be operated "in the cloud". Although this documentation deals in particular with a stock of chemicals in a laboratory, it can easily be adapted to any other "items" such as samples, spare parts, tools and other inventory. The software does not rely on a proprietary "solution" but employs...
    Downloads: 0 This Week
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  • 3
    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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  • 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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  • 5
    MoCalc2012

    MoCalc2012

    GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4

    MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, DFTB+, GAMESS(US), Firefly, NWChem, ORCA and PSI4.
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    Downloads: 22 This Week
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  • 6

    ConvertMAS

    ConvertMAS converts Chemical File Formats mol, mol2 and sdf.

    ...It will split sdf file with multiple molecules into seperate single files of any desired format. Also ConvertMAS creates sdf files from joining of mol, mol2 and sdf files. This is stand alone application; hence no need of internet connectivity to get results. It will generate output files in less time. Various online tools are available for conversion of Chemical file formats; but ConvertMAS mainly works on mol, mol2 and sdf effectively.
    Downloads: 0 This Week
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  • 7

    Magneto

    Magneto is a wxWidgets based viewer for NMR spectra.

    Magneto is a viewer for NMR spectra which is intended to be convenient for applied NMR users such as organic chemists. All free software for viewing NMR spectra I found on the internet did not satisfy, therefore I decided to spend some time writing an open source viewer. The program is based on wxWidgets, an excellent open source framework which allows to design truly cross platform applications. The program is supposed to be portable to different OS, especially Linux and Windows.
    Downloads: 0 This Week
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  • 8
    Cantharella

    Cantharella

    Pharmacochemical database of natural substances

    The information system (IS) “Cantharella: Pharmacochemical database of natural substances” share and sustain pharmacochemical data of all organisms collected for the study of their natural substances, with a controlled access via internet.
    Downloads: 0 This Week
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  • 9
    ChemProV is a tool used by chemical engineering students to solve material balance problems. The project is maintained by Washington State University. For more information on how to install ChemProV, please visit the project's website.
    Downloads: 0 This Week
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  • 10
    ORE-CHEM is an open source implementation of software for managing online chemical repositories and services using the Object Reuse and Exchange specification. For more information on ORE, see http://www.openarchives.org/ore/.
    Downloads: 0 This Week
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  • 11
    A univariate and multivariate analysis UI. This project is no longer under development. Please use as you wish.
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    Downloads: 6 This Week
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  • 12
    BINViz(Bidirectional Interactive Network Visualization) is a JavaScript library for network and graph visualization. The goal of this tool is to provide a better way to visualize complex graphical models and the underlying data in a web-based environ
    Downloads: 0 This Week
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  • 13
    JTabler is for the simple table manager to utilize other programs, including many internet utilities, statistics tools, especially adapted for chemistry data such as SDF and MOL
    Downloads: 0 This Week
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