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    MixtureMetrics: A comprehensive package to develop additive numerical features to describe complex materials for machine learning modeling

    MixtureMetrics: A comprehensive package to develop additive numerical features to describe complex materials for machine learning modeling by Rahil Ashtari Mahini, Gerardo Casanola-Martin, Simone A. Ludwig, Bakhtiyor Rasulev

    Published 2024-12-01
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    CombinatorixPy: Advancing mixture descriptors for computational chemistry

    CombinatorixPy: Advancing mixture descriptors for computational chemistry by Rahil Ashtari Mahini, Gerardo Casanola-Martin, Stephen Szwiec, Simone A. Ludwig, Bakhtiyor Rasulev

    Published 2025-02-01
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