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    oxDNA

    oxDNA

    A code primarily aimed at DNA and RNA coarse-grained simulations

    The oxDNA code has been moved to https://github.com/lorenzo-rovigatti/oxDNA, please go there for new releases.
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    Downloads: 2 This Week
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  • 2
    SMSD

    SMSD

    SMSD is a Java based software library for calculating MCS.

    SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure).
    Downloads: 0 This Week
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  • 3

    VSViewer3D

    3D Virtual Screening Viewer

    This project is an interactive viewer for 3D virtual screening data.
    Downloads: 0 This Week
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  • 4

    jPeriodic

    jPeriodic is a table of elements written in Java

    ...Additionaly jPeriodic offers a small temperature converter which is able to convert between Celcius and Kelvin. Because jPeriodic is coded in Java the software is platform-independent, meaning you can run jPeriodic on Windows, Mac OS, Linux and many other operating systems which are able to run a Java Virtual Machine.
    Downloads: 0 This Week
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  • 5
    ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds. Together with Support Vector Machines, these kernel functions find natural applications for virtual screening of molecules.
    Downloads: 0 This Week
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  • 6
    GLARE is a library and a software for product based optimization of reagent lists in the context of a chemical combinatorial library design. Large virtual combinatorial libraries containing 10^12 products have been optimized within a second.
    Downloads: 0 This Week
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