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Showing 8 open source projects for "xml database"

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  • 1
    PolyJen: Polymerization in a digital laboratory
    Downloads: 2 This Week
    Last Update:
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  • 2
    This software searches the potential energy surface of small to medium size atomic systems for global minima using quantum ab initio techniques. It performs bond rotations and molecule translations and rotations on a Linux cluster with MPI.
    Downloads: 0 This Week
    Last Update:
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  • 3
    The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.
    Downloads: 6 This Week
    Last Update:
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  • 4
    JTHERGAS (a JAVA implementation of THERGAS) estimates thermodynamic information from two dimensional graphical representations of molecules and radicals based on the Benson additivity method.
    Downloads: 0 This Week
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  • 5
    primeHandle is a set of data management tools in support of the PrIMe Initiative (http://primekinetics.org). primeHandle includes graphical user interfaces for searching through data collections, editing and submitting data to the PrIMe Data Depository.
    Downloads: 0 This Week
    Last Update:
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  • 6
    The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.
    1 Review
    Downloads: 2 This Week
    Last Update:
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  • 7
    JChemPaint Applet and Swing Application
    The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on https://jchempaint.github.io
    1 Review
    Downloads: 3 This Week
    Last Update:
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  • 8
    Crude Metabolic Pathway Analysis visualization software. For a software engineering class.
    Downloads: 0 This Week
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