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Showing 2 open source projects for "qsar"

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    PoseidonQ - AI/ML Based QSAR Modeling

    PoseidonQ - AI/ML Based QSAR Modeling

    ML based QSAR Modelling And Translation of Model to Deployable WebApps

    - This Software was made with an intention to make QSAR/QSPR development more efficient and reproducible. - Published in ACS, Journal of Chemical Information and Modeling . Link : https://pubs.acs.org/doi/10.1021/acs.jcim.4c02372 - Simple to use and no compromise on essential features necessary to make reliable QSAR models. - From Generating Reliable ML Based QSAR Models to Developing Your Own QSAR WebApp.
    Downloads: 13 This Week
    Last Update:
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    ReinventCommunity

    ReinventCommunity

    Jupyter Notebook tutorials for REINVENT 3.2

    This repository is a collection of useful jupyter notebooks, code snippets and example JSON files illustrating the use of Reinvent 3.2.
    Downloads: 0 This Week
    Last Update:
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