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@atomicarchitects

The Atomic Architects

Research Group of Prof. Tess Smidt

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  1. equiformer_v2 equiformer_v2 Public

    [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

    Python 288 39

  2. equiformer equiformer Public

    [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

    Python 251 48

  3. nequix nequix Public

    Nequix: Training a foundation model for materials on a budget.

    Python 41 5

  4. DeNS DeNS Public

    [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

    Python 38 3

  5. symphony symphony Public

    [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation

    Python 26 6

  6. phonax phonax Public

    Jupyter Notebook 21 2

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