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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 137

  2. chemicalx chemicalx Public

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

    Python 785 100

  3. rexmex rexmex Public

    A general purpose recommender metrics library for fair evaluation.

    Python 277 24

  4. SubTab SubTab Public

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

    Python 149 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 117 12

Repositories

Showing 10 of 113 repositories
  • persist-seq-galaxy-tools-setup Public
    AstraZeneca/persist-seq-galaxy-tools-setup's past year of commit activity
    Python 0 0 0 1 Updated Sep 5, 2026
  • n-alkylation-prediction Public
    AstraZeneca/n-alkylation-prediction's past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Sep 2, 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 1 Updated Aug 20, 2026
  • GenCDR Public

    Generative antibody language models for framework-conditioned CDR design, scoring, and preference-based alignment.

    AstraZeneca/GenCDR's past year of commit activity
    Python 1 Apache-2.0 0 0 0 Updated Aug 19, 2026
  • chro-compare Public
    AstraZeneca/chro-compare's past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Aug 18, 2026
  • uffpsim Public
    AstraZeneca/uffpsim's past year of commit activity
    C++ 1 MIT 1 0 0 Updated Aug 18, 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 7 Apache-2.0 1 1 6 Updated Aug 7, 2026
  • 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 91 Apache-2.0 26 1 0 Updated Aug 6, 2026
  • awesome-drug-discovery-knowledge-graphs Public

    A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of biomedical datasets relating to drug discovery: a knowledge graph perspective" (Briefings in Bioinformatics, 2022)

    AstraZeneca/awesome-drug-discovery-knowledge-graphs's past year of commit activity
    270 Apache-2.0 30 0 0 Updated Jul 27, 2026
  • Madsen_etal_2026 Public
    AstraZeneca/Madsen_etal_2026's past year of commit activity
    R 0 Apache-2.0 0 0 0 Updated Jul 27, 2026
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