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Showing 4 open source projects for "virtual screening"

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    MongoDB Atlas runs apps anywhere

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  • 1
    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 it a valuable tool for Computer-Aided Drug Design. ...
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    3 Reviews
    Downloads: 1,792 This Week
    Last Update:
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  • 2
    SMSD

    SMSD

    Substructure, MCS and FP search for chemical graphs C++, Java, Python

    SMSD Pro is now developed on GitHub: https://github.com/asad/SMSD. Install with pip install smsd, or from Maven Central as com.bioinceptionlabs:smsd.
    Downloads: 0 This Week
    Last Update:
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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
    Last Update:
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  • 4
    AUDocker
    AUDocker is a GUI for AutoDock Vina.. helps in virtual screening of huge number of ligands continuously. Helps in resumption of work in accidental shutdowns..
    Downloads: 0 This Week
    Last Update:
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  • PRTG Catches Network Issues Before They Cause Downtime Icon
    PRTG Catches Network Issues Before They Cause Downtime

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