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@keiserlab

keiserlab

Popular repositories

  1. e3fp e3fp Public

    3D molecular fingerprints

    Python 120 32

  2. keras-neural-graph-fingerprint keras-neural-graph-fingerprint Public

    Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015

    Python 46 24

  3. LUNA LUNA Public

    Jupyter Notebook 45 12

  4. plaquebox-paper plaquebox-paper Public

    Repo for Tang et al, bioRxiv 454793 (2018)

    Jupyter Notebook 36 25

  5. autofragdiff autofragdiff Public

    Python 19 1

  6. e3fp-paper e3fp-paper Public

    3D molecular fingerprints (E3FP) paper repo

    Python 14 2

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