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  • 1
    GNNPCSAFT

    GNNPCSAFT

    Smart Thermodynamic Modeling with Graph Neural Networks

    ...In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. To install the GNNPCSAFT app, download the appropriate latest release from the Files. More info on github repository.
    Downloads: 0 This Week
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  • 2
    GNNPCSAFT Web App

    GNNPCSAFT Web App

    Smart Thermodynamic Modeling with Graph Neural Networks

    ...In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. More info on github repository.
    Downloads: 0 This Week
    Last Update:
    See Project
  • 3
    QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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    Downloads: 0 This Week
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  • 4
    AtomDesigner
    3D modeling of chemical elements atoms
    Downloads: 0 This Week
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