Showing 5 open source projects for "ai"

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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. For any feedback or queries, contact kabeermuzammil614@gmail.com - Available on...
    Downloads: 9 This Week
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  • 2
    KherveSheet

    KherveSheet

    Excel for scientists: high-quality plots, Python in cells, AI side bar

    ...Curve fitting and peak fitting are supported, with goodness-of-fit reporting overlaid on the plot. Every cell can also run a full Python program, not just a formula. An integrated AI assistant can generate the cell code from a plain-language description if needed. Learn by doing with 300 ready-made scientific examples covering plotting, data analysis, fitting and simulation. Built entirely in Python, KherveSheet adds a familiar Excel-style grid, an optimisation solver, and a native .ksheet format with CSV and Excel import/export. ...
    Downloads: 6 This Week
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  • 3
    ChemCrow

    ChemCrow

    Chemcrow

    ChemCrow is an AI-powered framework designed to assist in chemical research and discovery. It integrates AI models with chemical knowledge bases to provide intelligent recommendations for synthesis planning, reaction prediction, and material discovery. This tool helps automate and accelerate research in computational chemistry and drug development.
    Downloads: 10 This Week
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  • 4
    mySQL db app that stores chemical structures, calc. descriptors and property values. It has a descriptor calculator and a method that filters descriptors correlated with property values. Easy to plug-in your descriptor calc. Ideal for QSAR specialists!
    Downloads: 0 This Week
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  • 5
    Jaqpot3
    The JAQPOT3 web services are OpenTox API-1.2 compliant web services. JAQPOT3 is a web application that supports model training and data preprocessing algorithms such as MLR, SVM, ANN and more.
    Downloads: 0 This Week
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