atomistic.net

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1. aenet aenet Public

   Atomic interaction potentials based on artificial neural networks

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2. tools-and-data tools-and-data Public

   A collection of tools and databases for atomistic machine learning

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3. MLP-beginners-guide MLP-beginners-guide Public

   Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)

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4. ml-catalysis ml-catalysis Public

   Machine Learning for Catalysis

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5. xas-tools xas-tools Public

   Tools related to X-ray absorption spectroscopy (XAS)

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6. aenet-PyTorch aenet-PyTorch Public

   ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training

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