Showing 4 open source projects for "compound"

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  • 1

    Toxmatch

    Exploring chemical similarity

    ...The core functionalities include the ability to compare datasets based on various structural and descriptor-based similarity indices as well as the means to calculate pair wise similarity between compounds or aggregated similarity of a compound to a set.
    Downloads: 0 This Week
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  • 2

    irayMol

    Molecular visualization

    Analyses and Interactive visualizations of the structures, functions and actions of biomolecules including molecular surface computation, and protein-ligand interface and protein-ligand docking where the ligand could a small compound, a nucleic acid, membrane and other proteins, written in C++/Qt/openGL/GLSL with more than 125,000 lines of codes. In addition to Qt, the only external library needed is GSL everything else is coded from the scratch.
    Downloads: 0 This Week
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  • 3

    CS Miner

    A tool for Navigating in Chemical Space

    CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening. Download it via: http://csminer.com/csm/?p=7 A quick tutorial is available through: http://csminer.com/csm/?p=8
    Downloads: 7 This Week
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  • 4
    Chisio is a free editing and layout tool for compound or hierarchically structured graphs based on the Eclipse Graph Editing Framework (GEF) that can be customized to build application-specific graph visualization tools by modifying its code-base. !!! For latest version, please see !!! http://code.google.com/p/chied
    Downloads: 0 This Week
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