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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 253 34

  2. equiformer equiformer Public

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

    Python 232 44

  3. DeNS DeNS Public

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

    Python 31 2

  4. phonax phonax Public

    Jupyter Notebook 20 2

  5. symphony symphony Public

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

    Python 16 4

  6. PriceofFreedom PriceofFreedom Public

    [GRaM at ICML'24] The Price of Freedom: Exploring Tradeoffs between Expressivity and Computational Efficiency in Equivariant Tensor Products

    Jupyter Notebook 9

Repositories

Showing 10 of 20 repositories
  • bond-predictor Public

    A simple bond predictor for 3D geometries

    atomicarchitects/bond-predictor’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 8, 2025
  • spherical-signal-demo Public

    A small demonstration of the SphericalSignal API in e3nn-JAX

    atomicarchitects/spherical-signal-demo’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 8, 2025
  • PriceofFreedom Public

    [GRaM at ICML'24] The Price of Freedom: Exploring Tradeoffs between Expressivity and Computational Efficiency in Equivariant Tensor Products

    atomicarchitects/PriceofFreedom’s past year of commit activity
    Jupyter Notebook 9 0 0 0 Updated Mar 7, 2025
  • atomicarchitects/atomicarchitects.github.io’s past year of commit activity
    SCSS 2 4 0 0 Updated Mar 6, 2025
  • datasets Public

    3D datasets useful to the Atomic Architects!

    atomicarchitects/datasets’s past year of commit activity
    Python 5 MIT 2 0 2 Updated Mar 3, 2025
  • molmetrics Public

    Metrics for assessing 3D molecular structures.

    atomicarchitects/molmetrics’s past year of commit activity
    Python 6 MIT 0 1 0 Updated Feb 26, 2025
  • symphony Public

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

    atomicarchitects/symphony’s past year of commit activity
    Python 16 MIT 4 0 3 Updated Feb 24, 2025
  • equiformer Public

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

    atomicarchitects/equiformer’s past year of commit activity
    Python 232 MIT 44 9 1 Updated Feb 11, 2025
  • DeNS Public

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

    atomicarchitects/DeNS’s past year of commit activity
    Python 31 MIT 2 0 0 Updated Feb 11, 2025
  • 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 253 MIT 34 16 1 Updated Feb 11, 2025

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