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    29 repositories

    • keiserlab.github.io

      Public
      keiserlab site
      Python
      •
      MIT License
      •1•3•0•0•Updated Apr 13, 2026Apr 13, 2026

    • tangle-tracer

      Public
      Python
      •
      MIT License
      •0•3•2•0•Updated Dec 31, 2025Dec 31, 2025

    • rad

      Public
      Retrieval Augmented Docking
      Python
      •
      MIT License
      •2•6•5•0•Updated Oct 1, 2025Oct 1, 2025

    • LUNA

      Public
      Jupyter Notebook
      •
      MIT License
      •18•62•7•0•Updated Sep 18, 2025Sep 18, 2025

    • dermato-paper

      Public
      Repo for Tada & Gaskins et al, bioRxiv (2024) [doi: 10.1101/2024.09.12.612732]
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Aug 24, 2025Aug 24, 2025

    • metric-ion-classification

      Public
      Official repository for Metric Ion Classification (MIC) code and models
      Jupyter Notebook
      •
      MIT License
      •1•6•1•0•Updated Jun 5, 2025Jun 5, 2025

    • autoparty

      Public
      ML-guided visual inspection for molecular docking
      JavaScript
      •
      MIT License
      •6•21•9•1•Updated Jun 3, 2025Jun 3, 2025

    • face-plm

      Public
      Python
      •
      MIT License
      •0•1•0•0•Updated May 5, 2025May 5, 2025

    • deepfish

      Public
      Python
      •
      MIT License
      •0•1•1•0•Updated Mar 30, 2025Mar 30, 2025

    • e3fp

      Public
      3D molecular fingerprints
      pythoncheminformaticsfingerprint
      pythoncheminformaticsfingerprintmolecular3de3fp
      Python
      •
      GNU Lesser General Public License v3.0
      •34•142•16•0•Updated Feb 4, 2025Feb 4, 2025

    • vae-anomaly-paper

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Oct 6, 2024Oct 6, 2024

    • torch_pgn

      Public
      Proximity Graph Networks
      HTML
      •
      MIT License
      •0•8•0•0•Updated Sep 10, 2024Sep 10, 2024

    • chemprobe

      Public
      Python
      •
      MIT License
      •0•1•3•0•Updated Aug 28, 2024Aug 28, 2024

    • autofragdiff

      Public
      Autoregressive fragment-based diffusion for target-aware ligand design
      Python
      •
      MIT License
      •3•35•3•0•Updated May 23, 2024May 23, 2024

    • 3d-genome-disruption-paper

      Public
      Jupyter Notebook
      •
      MIT License
      •0•3•0•0•Updated Aug 24, 2023Aug 24, 2023

    • stochastic-negatives-paper

      Public
      Jupyter Notebook
      •0•4•0•2•Updated Jul 6, 2023Jul 6, 2023

    • exceiver

      Public
      A pretrained single cell gene expression language model
      Python
      •
      MIT License
      •1•12•1•0•Updated Jun 6, 2023Jun 6, 2023

    • amyloid-yolo-paper

      Public
      Python
      •
      MIT License
      •0•1•0•0•Updated May 17, 2023May 17, 2023

    • trans-channel-paper

      Public
      Python
      •
      MIT License
      •0•1•0•0•Updated Mar 7, 2022Mar 7, 2022

    • consensus-learning-paper

      Public
      C
      •
      MIT License
      •2•1•0•0•Updated Dec 18, 2021Dec 18, 2021

    • e3fp-paper

      Public
      3D molecular fingerprints (E3FP) paper repo
      pythoncheminformaticspaper
      pythoncheminformaticspaperfingerprintmolecular3de3fp
      Python
      •
      GNU Lesser General Public License v3.0
      •2•14•2•0•Updated Mar 14, 2021Mar 14, 2021

    • film-gex

      Public
      Jupyter Notebook
      •
      Apache License 2.0
      •2•3•0•0•Updated Oct 23, 2020Oct 23, 2020

    • policy

      Public
      Core lab policies
      Creative Commons Attribution 4.0 International
      •0•0•0•0•Updated Jul 25, 2020Jul 25, 2020

    • rcav

      Public
      'Robust Semantic Interpretability: Revisiting Concept Activation Vectors' Official Implementation
      Python
      •0•11•0•0•Updated Jul 15, 2020Jul 15, 2020

    • plaquebox-paper

      Public
      Repo for Tang et al, bioRxiv 454793 (2018)
      machine-learningdeep-learningconvolutional-neural-networks
      machine-learningdeep-learningconvolutional-neural-networksimmunohistochemical-imagesalzheimers-diseasedementiasaliency-mappathologymedical-image-analysisplaques
      Jupyter Notebook
      •
      MIT License
      •25•43•2•0•Updated Mar 24, 2019Mar 24, 2019

    • keras-neural-graph-fingerprint

      Public
      Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
      atomgraphgraph-algorithms
      atomgraphgraph-algorithmsgpukerasmoleculefingerprintneural-networkstensordifferentiable-models
      Python
      •
      MIT License
      •22•46•5•2•Updated Jan 25, 2019Jan 25, 2019

    • comments

      Public
      Jupyter Notebook
      •
      MIT License
      •1•13•0•0•Updated Apr 12, 2018Apr 12, 2018

    • conda-recipes

      Public
      Creative Commons Attribution Share Alike 4.0 International
      •0•0•0•0•Updated Oct 18, 2017Oct 18, 2017

    • python_utilities

      Public
      Useful tools for common Python tasks.
      Python
      •
      GNU General Public License v3.0
      •1•1•0•0•Updated Sep 23, 2015Sep 23, 2015
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