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    @AstraZeneca

    AstraZeneca

    Data and AI: Unlocking new science insights

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    1. awesome-explainable-graph-reasoning awesome-explainable-graph-reasoning Public

      A collection of research papers and software related to explainability in graph machine learning.

      2k 133

    2. chemicalx chemicalx Public

      A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

      Python 754 97

    3. rexmex rexmex Public

      A general purpose recommender metrics library for fair evaluation.

      Python 279 25

    4. SubTab SubTab Public

      The official implementation of the paper, "SubTab: Subsetting Features of Tabular Data for Self-Supervised Representation Learning"

      Python 147 21

    5. onto_merger onto_merger Public

      OntoMerger is an ontology alignment library for deduplicating knowledge graph nodes that represent the same domain.

      HTML 100 7

    6. jazzy jazzy Public

      Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.

      Python 86 7

    Repositories

    Showing 10 of 90 repositories
    • jazzy Public

      Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.

      AstraZeneca/jazzy’s past year of commit activity
      Python 86 7 1 22 Updated Oct 17, 2025
    • peptide-tools Public

      Collection of tools to calculate properties of natural or synthetic peptides and proteins.

      AstraZeneca/peptide-tools’s past year of commit activity
      Python 41 MIT 7 0 0 Updated Oct 13, 2025
    • maraca Public

      R package for the creation of "maraca" plots

      AstraZeneca/maraca’s past year of commit activity
      R 4 2 1 1 Updated Oct 8, 2025
    • runnable Public

      Runnable

      AstraZeneca/runnable’s past year of commit activity
      Python 42 Apache-2.0 4 7 3 Updated Sep 28, 2025
    • MVDA_exploration_tools Public

      Multivariate data analysis (MVDA) exploration tool is a Python library utilizing the scikit-learn library for partial least squares (PLS) and principal components analysis (PCA).

      AstraZeneca/MVDA_exploration_tools’s past year of commit activity
      Jupyter Notebook 6 Apache-2.0 1 0 0 Updated Sep 18, 2025
    • mosses Public

      Toolkit for analysing molecular property predictive models.

      AstraZeneca/mosses’s past year of commit activity
      Python 0 Apache-2.0 0 0 0 Updated Sep 18, 2025
    • AstraZeneca/multimodal_data_fusion’s past year of commit activity
      Python 2 0 0 2 Updated Sep 4, 2025
    • AstraZeneca/Stochastic-gates-for-covariate-selection-in-population-pharmacokinetics-modelling-’s past year of commit activity
      Jupyter Notebook 1 Apache-2.0 0 0 1 Updated Sep 1, 2025
    • cellatria Public

      An Agentic AI Framework for Ingestion and Standardization of Single-Cell RNA-seq Data Analysis

      AstraZeneca/cellatria’s past year of commit activity
      Python 12 Apache-2.0 4 0 0 Updated Aug 30, 2025
    • AstraZeneca/persist-seq-galaxy-tools-setup’s past year of commit activity
      Python 0 0 0 1 Updated Aug 8, 2025

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