Showing 2 open source projects for "energy"

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    FairChem

    FairChem

    FAIR Chemistry's library of machine learning methods for chemistry

    ...Tasks span heterogeneous domains—catalysis (OC20-style), inorganic materials (OMat), molecules (OMol), MOFs (ODAC), and molecular crystals (OMC)—allowing one model family to serve many simulations. The README provides quick paths for pulling models (e.g., via Hugging Face access), then running energy/force predictions on GPU or CPU.
    Downloads: 0 This Week
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    CARTOframes

    CARTOframes

    CARTO Python package for data scientists

    ...Python data analysis workflows often rely on the de facto standards pandas and Jupyter notebooks. Integrating CARTO into this workflow saves data scientists time and energy by not having to export datasets as files or retain multiple copies of the data. Instead, CARTOframes give the ability to communicate reproducible analysis while providing the ability to gain from CARTO's services like hosted, dynamic or static maps and Data Observatory augmentation.
    Downloads: 1 This Week
    Last Update:
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