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@ADicksonLab

ADicksonLab

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  1. wepy wepy Public

    Weighted Ensemble simulation framework in Python

    Python 54 20

  2. CSNAnalysis CSNAnalysis Public

    Tools for creating, analyzing and visualizing Conformation Space Networks

    Python 16 3

  3. OpenRXN OpenRXN Public

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

    Python 13 2

  4. AGDIFF AGDIFF Public

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

    Python 13

  5. ml4md-jb ml4md-jb Public

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

    Jupyter Notebook 11 3

  6. flexibletopology flexibletopology Public

    ML-based molecular representation models using PyTorch

    Python 11 3

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