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  1. cgcnn_active_learning cgcnn_active_learning Public

    A workflow to predict energies of binary and ternary Pd-Pt-Sn bulk systems using the Crystal Graph Convolutional Neural Network (CGCNN) approach, quantifying uncertainty, calculating formation ener…

    Python

  2. alloysegregation alloysegregation Public

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January 2026

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