Shypd.aiThe largest open index of AI toolsfairchem is an open-source library of machine learning methods for chemistry, developed by the FAIR Chemistry team. It provides tools for materials science and quantum chemistry applications.
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fairchem is a comprehensive, open-source library developed by the FAIR Chemistry team, offering machine learning methods specifically tailored for chemistry. It serves as a centralized repository for data, models, demos, and applications in materials science and quantum chemistry. The library supports various tasks, including relaxing adsorbates on catalytic surfaces, optimizing inorganic crystals, running molecular dynamics simulations, and calculating spin gaps. It features pretrained models like UMA, which can be used with the ASE FAIRChemCalculator for a wide range of applications. fairchem also supports multi-GPU inference and LAMMPs integration for large-scale simulations, making it suitable for complex computational chemistry problems.
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