Showing 1 open source project for "simulations"

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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.
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