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Showing 1 open source project for "scientific calculator code in python"

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    FairChem

    FairChem

    FAIR Chemistry's library of machine learning methods for chemistry

    FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations,...
    Downloads: 3 This Week
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