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  • mace Public

    Forked from ACEsuit/mace

    MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

    Python Other Updated Feb 6, 2025

  • cace Public

    Forked from BingqingCheng/cace
    Python MIT License Updated Feb 3, 2025

  • PointGroupPy Public

    A pure Python package for group theory focused on point groups. Ideal for crystal and molecular modeling.

    Python GNU General Public License v3.0 Updated Jan 5, 2025

  • symmetric-tensor-decomposition Public

    Gradient Descent for Symmetric Tensor Decomposition

    Jupyter Notebook Updated Nov 5, 2024

  • Learning-AI4MaterialsScience Public

    This repo is designed to collect my footprints in the pathway of learning AI for materials science.

    Jupyter Notebook Updated Oct 2, 2024

  • FEP-DMC Public

    Jupyter Notebook Updated Sep 2, 2024