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    • keiserlab site
      Python
      MIT License
      1300Updated Apr 13, 2026Apr 13, 2026
    • Python
      MIT License
      0320Updated Dec 31, 2025Dec 31, 2025
    • rad

      Public
      Retrieval Augmented Docking
      Python
      MIT License
      2650Updated Oct 1, 2025Oct 1, 2025
    • LUNA

      Public
      Jupyter Notebook
      MIT License
      186270Updated Sep 18, 2025Sep 18, 2025
    • Repo for Tada & Gaskins et al, bioRxiv (2024) [doi: 10.1101/2024.09.12.612732]
      Jupyter Notebook
      MIT License
      0000Updated Aug 24, 2025Aug 24, 2025
    • Official repository for Metric Ion Classification (MIC) code and models
      Jupyter Notebook
      MIT License
      1610Updated Jun 5, 2025Jun 5, 2025
    • autoparty

      Public
      ML-guided visual inspection for molecular docking
      JavaScript
      MIT License
      62191Updated Jun 3, 2025Jun 3, 2025
    • face-plm

      Public
      Python
      MIT License
      0100Updated May 5, 2025May 5, 2025
    • deepfish

      Public
      Python
      MIT License
      0110Updated Mar 30, 2025Mar 30, 2025
    • e3fp

      Public
      3D molecular fingerprints
      Python
      GNU Lesser General Public License v3.0
      34142160Updated Feb 4, 2025Feb 4, 2025
    • Jupyter Notebook
      MIT License
      0000Updated Oct 6, 2024Oct 6, 2024
    • torch_pgn

      Public
      Proximity Graph Networks
      HTML
      MIT License
      0800Updated Sep 10, 2024Sep 10, 2024
    • chemprobe

      Public
      Python
      MIT License
      0130Updated Aug 28, 2024Aug 28, 2024
    • Autoregressive fragment-based diffusion for target-aware ligand design
      Python
      MIT License
      33530Updated May 23, 2024May 23, 2024
    • Jupyter Notebook
      MIT License
      0300Updated Aug 24, 2023Aug 24, 2023
    • Jupyter Notebook
      0402Updated Jul 6, 2023Jul 6, 2023
    • exceiver

      Public
      A pretrained single cell gene expression language model
      Python
      MIT License
      11210Updated Jun 6, 2023Jun 6, 2023
    • Python
      MIT License
      0100Updated May 17, 2023May 17, 2023
    • Python
      MIT License
      0100Updated Mar 7, 2022Mar 7, 2022
    • C
      MIT License
      2100Updated Dec 18, 2021Dec 18, 2021
    • 3D molecular fingerprints (E3FP) paper repo
      Python
      GNU Lesser General Public License v3.0
      21420Updated Mar 14, 2021Mar 14, 2021
    • film-gex

      Public
      Jupyter Notebook
      Apache License 2.0
      2300Updated Oct 23, 2020Oct 23, 2020
    • policy

      Public
      Core lab policies
      Creative Commons Attribution 4.0 International
      0000Updated Jul 25, 2020Jul 25, 2020
    • rcav

      Public
      'Robust Semantic Interpretability: Revisiting Concept Activation Vectors' Official Implementation
      Python
      01100Updated Jul 15, 2020Jul 15, 2020
    • Repo for Tang et al, bioRxiv 454793 (2018)
      Jupyter Notebook
      MIT License
      254320Updated Mar 24, 2019Mar 24, 2019
    • Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
      Python
      MIT License
      224652Updated Jan 25, 2019Jan 25, 2019
    • comments

      Public
      Jupyter Notebook
      MIT License
      11300Updated Apr 12, 2018Apr 12, 2018
    • Creative Commons Attribution Share Alike 4.0 International
      0000Updated Oct 18, 2017Oct 18, 2017
    • Useful tools for common Python tasks.
      Python
      GNU General Public License v3.0
      1100Updated Sep 23, 2015Sep 23, 2015
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