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  1. ADicksonLab/wepy ADicksonLab/wepy Public

    Weighted Ensemble simulation framework in Python

    Python 58 22

  2. ADicksonLab/CSNAnalysis ADicksonLab/CSNAnalysis Public

    Tools for creating, analyzing and visualizing Conformation Space Networks

    Python 16 3

  3. ADicksonLab/OpenRXN ADicksonLab/OpenRXN Public

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

    Python 13 2

  4. ADicksonLab/AGDIFF ADicksonLab/AGDIFF Public

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

    Python 15

  5. ADicksonLab/flexibletopology ADicksonLab/flexibletopology Public

    ML-based molecular representation models using PyTorch

    Python 15 3

  6. ADicksonLab/mlforce_ft ADicksonLab/mlforce_ft Public

    C++ 2