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  1. DiffCSP DiffCSP Public

    [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

    Python 57 18

  2. 3D-EMGP 3D-EMGP Public

    [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"

    Python 31 7

  3. DiffCSP-PP DiffCSP-PP Public

    [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"

    Python 13 4

  4. iSOA_DormLabPlus iSOA_DormLabPlus Public

    Citation Network Analysis for SOA project

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  5. CrabNet CrabNet Public

    Forked from anthony-wang/CrabNet

    Predict materials properties using only the composition information!

    Python 1

  6. GitTutorial GitTutorial Public

    Forked from Loremkang/GitTutorial

    A Simple Git Tutorial