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  1. ML-accelerated-ORR ML-accelerated-ORR Public

    Jupyter Notebook 1

  2. EqV2-HER-Discovery EqV2-HER-Discovery Public

    Forked from ergroup/EqV2-HER-Discovery

    Dataset and structures for ML-accelerated discovery of bimetallic HER electrocatalysts using EquiformerV2

    Jupyter Notebook

  3. GNoME-NequIP-Allegro-AuPd-Tutorial GNoME-NequIP-Allegro-AuPd-Tutorial Public

    Reproducible Colab tutorial for GNoME prediction analysis and Auโ€“Pd formation-energy calculations with open NequIP and Allegro models.

    Jupyter Notebook

  4. material-screen-from-MP material-screen-from-MP Public

    Jupyter Notebook