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  1. e3fp e3fp Public

    3D molecular fingerprints

    Python 124 33

  2. LUNA LUNA Public

    Jupyter Notebook 51 13

  3. keras-neural-graph-fingerprint keras-neural-graph-fingerprint Public

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

    Python 46 22

  4. plaquebox-paper plaquebox-paper Public

    Repo for Tang et al, bioRxiv 454793 (2018)

    Jupyter Notebook 39 25

  5. autofragdiff autofragdiff Public

    Python 24 1

  6. e3fp-paper e3fp-paper Public

    3D molecular fingerprints (E3FP) paper repo

    Python 15 2

Repositories

Showing 10 of 28 repositories
  • autoparty Public
    keiserlab/autoparty’s past year of commit activity
    JavaScript 8 MIT 0 9 0 Updated Dec 15, 2024
  • e3fp Public

    3D molecular fingerprints

    keiserlab/e3fp’s past year of commit activity
    Python 124 LGPL-3.0 33 17 1 Updated Nov 22, 2024
  • keiserlab.github.io Public

    keiserlab site

    keiserlab/keiserlab.github.io’s past year of commit activity
    Python 4 MIT 1 0 1 Updated Nov 20, 2024
  • tangle-tracer Public
    keiserlab/tangle-tracer’s past year of commit activity
    Python 3 MIT 0 1 0 Updated Nov 16, 2024
  • deepfish Public
    keiserlab/deepfish’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Oct 9, 2024
  • vae-anomaly-paper Public
    keiserlab/vae-anomaly-paper’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Oct 6, 2024
  • dermato-paper Public

    Repo for Tada & Gaskins et al, bioRxiv (2024) [doi: 10.1101/2024.09.12.612732]

    keiserlab/dermato-paper’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Sep 11, 2024
  • torch_pgn Public

    Proximity Graph Networks

    keiserlab/torch_pgn’s past year of commit activity
    HTML 6 MIT 0 0 0 Updated Sep 10, 2024
  • chemprobe Public
    keiserlab/chemprobe’s past year of commit activity
    Python 1 MIT 0 3 0 Updated Aug 28, 2024
  • rad Public
    keiserlab/rad’s past year of commit activity
    C++ 5 MIT 1 0 0 Updated Jul 25, 2024
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