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@ASK-Berkeley

ASK-Berkeley

Research group at UC Berkeley, working on machine learning methods for the physical sciences.

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  1. EScAIP EScAIP Public

    [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential

    Python 48 5

  2. Neural-Spectral-Methods Neural-Spectral-Methods Public

    [ICLR 2024] Neural Spectral Methods: Self-supervised learning in the spectral domain.

    Python 40 2

  3. physics-NNs-hard-constraints physics-NNs-hard-constraints Public

    [ICLR 2024] Scaling physics-informed hard constraints with mixture-of-experts.

    Python 32 3

  4. StABlE-Training StABlE-Training Public

    [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators

    Python 13 1

  5. MLFF-distill MLFF-distill Public

    Forked from ishanthewizard/MLFF-distill

    [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy Hessians"

    Jupyter Notebook 10

  6. CoarsenConf CoarsenConf Public

    Python 8

Repositories

Showing 9 of 9 repositories
  • MLFF-distill Public Forked from ishanthewizard/MLFF-distill

    [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy Hessians"

    ASK-Berkeley/MLFF-distill’s past year of commit activity
    Jupyter Notebook 10 2 0 0 Updated Apr 17, 2025
  • MLFF-distribution-shifts Public
    ASK-Berkeley/MLFF-distribution-shifts’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Mar 13, 2025
  • EScAIP Public

    [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential

    ASK-Berkeley/EScAIP’s past year of commit activity
    Python 48 MIT 5 3 0 Updated Mar 11, 2025
  • StABlE-Training Public

    [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators

    ASK-Berkeley/StABlE-Training’s past year of commit activity
    Python 13 1 2 0 Updated Feb 26, 2025
  • CoarsenConf Public
    ASK-Berkeley/CoarsenConf’s past year of commit activity
    Python 8 MIT 0 1 0 Updated Oct 24, 2024
  • physics-NNs-hard-constraints Public

    [ICLR 2024] Scaling physics-informed hard constraints with mixture-of-experts.

    ASK-Berkeley/physics-NNs-hard-constraints’s past year of commit activity
    Python 32 3 0 0 Updated Jun 21, 2024
  • BADGER-SBDD Public

    Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"

    ASK-Berkeley/BADGER-SBDD’s past year of commit activity
    5 0 1 0 Updated Jun 17, 2024
  • e3_diffusion_for_molecules Public Forked from ehoogeboom/e3_diffusion_for_molecules
    ASK-Berkeley/e3_diffusion_for_molecules’s past year of commit activity
    Python 3 MIT 121 0 0 Updated May 8, 2024
  • Neural-Spectral-Methods Public

    [ICLR 2024] Neural Spectral Methods: Self-supervised learning in the spectral domain.

    ASK-Berkeley/Neural-Spectral-Methods’s past year of commit activity
    Python 40 MIT 2 2 0 Updated Jan 31, 2024

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