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  1. molinfo-vienna/PharmacoMatch molinfo-vienna/PharmacoMatch Public

    Python 5 1

  2. molinfo-vienna/GRIPHIN molinfo-vienna/GRIPHIN Public

    A model for affinity prediction with pharmacophore interaction fields.

    Jupyter Notebook 2

  3. molinfo-vienna/NEAT molinfo-vienna/NEAT Public

    Autoregressive 3D molecular generation with a set transformer model.

    Python 3