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@ADicksonLab

ADicksonLab

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  1. wepy wepy Public

    Weighted Ensemble simulation framework in Python

    Python 58 22

  2. CSNAnalysis CSNAnalysis Public

    Tools for creating, analyzing and visualizing Conformation Space Networks

    Python 16 3

  3. flexibletopology flexibletopology Public

    ML-based molecular representation models using PyTorch

    Python 15 3

  4. AGDIFF AGDIFF Public

    Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction

    Python 15

  5. OpenRXN OpenRXN Public

    A free, open-source tool for modeling chemical reaction networks in Python

    Python 13 2

  6. ml4md-jb ml4md-jb Public

    Jupyter book and content for "Machine Learning for Molecular Dynamics" course

    Jupyter Notebook 13 3

Repositories

Showing 10 of 28 repositories
  • wepy Public

    Weighted Ensemble simulation framework in Python

    ADicksonLab/wepy’s past year of commit activity
    Python 58 MIT 22 34 1 Updated Dec 1, 2025
  • mlforce_ft Public
    ADicksonLab/mlforce_ft’s past year of commit activity
    C++ 2 0 1 1 Updated Aug 12, 2025
  • flexibletopology Public

    ML-based molecular representation models using PyTorch

    ADicksonLab/flexibletopology’s past year of commit activity
    Python 15 MIT 3 2 0 Updated Aug 11, 2025
  • wepy-analysis Public

    Analysis tools for wepy simulations

    ADicksonLab/wepy-analysis’s past year of commit activity
    Python 1 MIT 1 0 0 Updated Jul 31, 2025
  • geomm Public

    Mirror of main geomm repository. Simple and stupid library for strictly geometric operations (zero-knowledge of topology) common to computational biology and chemistry. https://adicksonlab.github.io/geomm/

    ADicksonLab/geomm’s past year of commit activity
    Python 4 MIT 0 0 7 Updated Jul 7, 2025
  • AGDIFF Public

    Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction

    ADicksonLab/AGDIFF’s past year of commit activity
    Python 15 MIT 0 0 0 Updated Jun 19, 2025
  • openmmcontinuityforce Public Forked from openmm/openmmexampleplugin

    An OpenMM force that ensures a set of atoms stay continuously connected in space

    ADicksonLab/openmmcontinuityforce’s past year of commit activity
    C++ 1 22 0 0 Updated Jun 11, 2025
  • OpenRXN Public

    A free, open-source tool for modeling chemical reaction networks in Python

    ADicksonLab/OpenRXN’s past year of commit activity
    Python 13 MIT 2 0 0 Updated Jan 16, 2024
  • ClassicalGSG Public

    A new logP predictor method using GSG and NNs

    ADicksonLab/ClassicalGSG’s past year of commit activity
    Python 9 MIT 1 1 0 Updated Oct 12, 2023
  • openmm_systems Public

    Collection of premade molecular systems for use with OpenMM

    ADicksonLab/openmm_systems’s past year of commit activity
    Python 3 MIT 0 0 5 Updated Dec 8, 2022

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