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  • matgl Public

    Forked from materialsvirtuallab/matgl

    Graph deep learning library for materials

    Python 2 BSD 3-Clause "New" or "Revised" License Updated Dec 17, 2024
  • bowen-bd.github.io Public template

    Forked from alshedivat/al-folio

    A beautiful, simple, clean, and responsive Jekyll theme for academics

    HTML MIT License Updated Nov 25, 2024
  • MDsampler Public

    GNN-based sampler for selecting representative structures in MD trajectories

    Python 2 Other Updated Feb 3, 2024
  • Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

    Python Other Updated Nov 15, 2023
  • Pretrained universal neural network potential for charge-informed atomistic modeling

    Python Other Updated Mar 30, 2023