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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 223 29

  2. equiformer equiformer Public

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

    Python 214 40

  3. DeNS DeNS Public

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

    Python 24 2

  4. phonax phonax Public

    Jupyter Notebook 16 2

  5. Symmetry-Breaking-Discovery Symmetry-Breaking-Discovery Public

    Jupyter Notebook 8 2

  6. symphony symphony Public

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

    Python 7 4

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Showing 10 of 18 repositories
  • DeNS Public

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

    atomicarchitects/DeNS’s past year of commit activity
    Python 24 MIT 2 0 0 Updated Dec 3, 2024
  • atomicarchitects.github.io Public
    atomicarchitects/atomicarchitects.github.io’s past year of commit activity
    SCSS 3 4 0 0 Updated Dec 1, 2024
  • symphony Public

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

    atomicarchitects/symphony’s past year of commit activity
    Python 7 MIT 4 1 2 Updated Dec 1, 2024
  • e3nn_tetris Public

    Simple Tetris Network in Torch 2.0 + C++ inference

    atomicarchitects/e3nn_tetris’s past year of commit activity
    Python 4 1 0 1 Updated Nov 25, 2024
  • pyspectra Public

    Library for computing, inverting, and visualizing spectra of local atomic environments

    atomicarchitects/pyspectra’s past year of commit activity
    Jupyter Notebook 5 1 0 0 Updated Nov 22, 2024
  • datasets Public

    3D datasets useful to the Atomic Architects!

    atomicarchitects/datasets’s past year of commit activity
    Python 6 MIT 0 0 0 Updated Nov 12, 2024
  • RelaxedE3NN Public

    [GRaM at ICML'24] Relaxed Equivariant Graph Neural Networks

    atomicarchitects/RelaxedE3NN’s past year of commit activity
    Jupyter Notebook 1 MIT 1 0 0 Updated Nov 8, 2024
  • equivariant-SBS Public
    atomicarchitects/equivariant-SBS’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Oct 25, 2024
  • molmetrics Public

    Metrics for assessing 3D molecular structures.

    atomicarchitects/molmetrics’s past year of commit activity
    Python 5 MIT 0 1 0 Updated Sep 20, 2024
  • equiformer_v2 Public

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

    atomicarchitects/equiformer_v2’s past year of commit activity
    Python 223 MIT 29 13 1 Updated Jul 31, 2024
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