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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 136

  2. chemicalx chemicalx Public

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

    Python 776 102

  3. rexmex rexmex Public

    A general purpose recommender metrics library for fair evaluation.

    Python 277 25

  4. SubTab SubTab Public

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

    Python 150 21

  5. onto_merger onto_merger Public

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

    HTML 102 6

  6. jazzy jazzy Public

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

    Python 115 11

Repositories

Showing 10 of 101 repositories
  • AstraZeneca/persist-seq-galaxy-tools-setup’s past year of commit activity
    Python 0 0 0 1 Updated Apr 21, 2026
  • atropisomers_workflow Public

    Risk assessment of atropisomers with cheminformatics and QM.

    AstraZeneca/atropisomers_workflow’s past year of commit activity
    Jupyter Notebook 0 Apache-2.0 1 1 0 Updated Apr 20, 2026
  • FWAnalysis Public

    Free Wilson analysis

    AstraZeneca/FWAnalysis’s past year of commit activity
    Python 1 Apache-2.0 1 1 0 Updated Apr 15, 2026
  • RBSB Public

    R code for the Robust Bayesian Sequential Borrowing (RBSB) simulation study and case study analysis accompanying the publication.

    AstraZeneca/RBSB’s past year of commit activity
    R 0 Apache-2.0 0 1 0 Updated Apr 15, 2026
  • boat Public

    Multi-objective Bayesian optimization for antibody lead optimization with multiple property predictors

    AstraZeneca/boat’s past year of commit activity
    Python 3 2 1 10 Updated Apr 14, 2026
  • AstraZeneca/multimodal_data_fusion’s past year of commit activity
    Python 3 2 0 3 Updated Apr 13, 2026
  • 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 66 MIT 12 0 1 Updated Apr 13, 2026
  • ontoverse-app Public

    Ontoverse web app for cartographic exploration of knowledge spaces, nurtured by the ontoverse-kg-choreographer

    AstraZeneca/ontoverse-app’s past year of commit activity
    TypeScript 1 Apache-2.0 1 1 6 Updated Apr 11, 2026
  • G-SPAID Public

    G-function Area Spatial Proximity Analysis Independent of cell Density

    AstraZeneca/G-SPAID’s past year of commit activity
    R 0 Apache-2.0 1 1 0 Updated Apr 10, 2026
  • vlm Public

    Official implementation for "Diffusion Instruction Tuning"

    AstraZeneca/vlm’s past year of commit activity
    Python 35 5 0 0 Updated Apr 1, 2026

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