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  1. e3fp e3fp Public

    3D molecular fingerprints

    Python 121 33

  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 46 13

  4. plaquebox-paper plaquebox-paper Public

    Repo for Tang et al, bioRxiv 454793 (2018)

    Jupyter Notebook 36 25

  5. autofragdiff autofragdiff Public

    Python 21 1

  6. e3fp-paper e3fp-paper Public

    3D molecular fingerprints (E3FP) paper repo

    Python 14 2

Repositories

Showing 10 of 26 repositories
  • rad Public
    keiserlab/rad’s past year of commit activity
    C++ 3 MIT 0 0 0 Updated Jul 25, 2024
  • torch_pgn Public

    Proximity Graph Networks

    keiserlab/torch_pgn’s past year of commit activity
    Python 6 MIT 0 0 0 Updated Jul 9, 2024
  • vae-anomaly-paper Public
    keiserlab/vae-anomaly-paper’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jun 29, 2024
  • chemprobe Public
    keiserlab/chemprobe’s past year of commit activity
    Python 1 MIT 0 3 0 Updated Jun 10, 2024
  • autofragdiff Public
    keiserlab/autofragdiff’s past year of commit activity
    Python 21 MIT 1 2 0 Updated May 23, 2024
  • metric-ion-classification Public

    Official repository for Metric Ion Classification (MIC) code and models

    keiserlab/metric-ion-classification’s past year of commit activity
    Jupyter Notebook 4 MIT 1 0 0 Updated Apr 26, 2024
  • keiserlab.github.io Public

    keiserlab site

    keiserlab/keiserlab.github.io’s past year of commit activity
    Python 4 MIT 1 0 1 Updated Apr 24, 2024
  • LUNA Public
    keiserlab/LUNA’s past year of commit activity
    Jupyter Notebook 46 MIT 13 10 0 Updated Apr 2, 2024
  • deepfish Public
    keiserlab/deepfish’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Mar 21, 2024
  • tangle-tracer Public
    keiserlab/tangle-tracer’s past year of commit activity
    Python 3 MIT 0 1 0 Updated Jan 24, 2024
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