Showing 5 open source projects for "data science"

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    PyRx - Virtual Screening Tool

    PyRx - Virtual Screening Tool

    Virtual Screening software for Computational Drug Discovery

    PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes...
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    Downloads: 1,788 This Week
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  • 2
    GEOMS2

    GEOMS2

    Geostatistics and geosciences modeling software

    GEOMS2 is a geostatistics and geosciences modeling software. Provides interface for grid (mesh), point, surface and data (non-spatial) objects. It has a 3D viewer and 2D plots using the well known Python engines Mayavi and Matplotlib. It has several functions to manipulate your data as well as provide univariate and multivariate analysis. NOTE: The software is still an early beta. Please tell us if you found a bug. Download datasets for students of Geostatistics 2017 (Petroleum...
    Downloads: 0 This Week
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  • 3

    Cylindrical BLAST Viewer

    Alignments in Rotating Cylinder / 3D

    3D viewer which arranges BLAST hits and other bioinformatics-related alignments in a rotating, cylindrical display. Feedback appreciated. NOTE: requires Java3d installation. Superceded by Cylindrical Alignment App
    Downloads: 0 This Week
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  • 4
    q3DViewer

    q3DViewer

    Simple 3D viewer

    Simple 3D viewer based on QT and VTK
    Downloads: 2 This Week
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    Quantum Toolkit
    Quantum Mechanical Toolkit And 3D Viewer for C++. Allows Data Visualisation via Images, Surfaces and Volume plots using OpenGL, as well as rapid development Quantum Mechanical Simulations. Uses the Blitz++, VTK Visualisation and Qt Libraries.
    Downloads: 0 This Week
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