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@AstraZeneca

AstraZeneca

Data and AI: Unlocking new science insights

Pinned

  1. awesome-explainable-graph-reasoning Public

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

    1.8k 126

  2. kallisto Public

    Efficiently calculate 3D-atomic/molecular features for quantitative structure-activity relationship approaches.

    Python 38 15

  3. chemicalx Public

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

    Python 558 62

  4. rexmex Public

    A general purpose recommender metrics library for fair evaluation.

    Python 246 21

  5. SubTab Public

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

    Python 89 13

  6. onto_merger Public

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

    HTML 68 3

Repositories

  • jazzy Public

    Efficient calculation of hydration free energies and hydrogen bond strengths.

    Python 8 0 1 12 Updated Sep 8, 2022
  • maraca Public

    R package for the creation of "maraca" plots

    R 0 0 0 0 Updated Sep 6, 2022
  • awesome-drug-discovery-knowledge-graphs Public

    A collection of research papers, datasets and software related to knowledge graphs suitable for drug discovery.

    83 Apache-2.0 10 0 0 Updated Sep 6, 2022
  • biomedical-kg-topological-imbalance Public

    Code to accompany the "Implications of Topological Imbalance for Representation Learning on Biomedical Knowledge Graphs" (Briefings in Bioinformatics, 2022)

    Jupyter Notebook 6 Apache-2.0 0 0 0 Updated Sep 5, 2022
  • chemicalx Public

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

    Python 558 Apache-2.0 62 5 1 Updated Aug 26, 2022
  • peptide-tools Public

    Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.

    Python 4 Apache-2.0 2 0 0 Updated Aug 25, 2022
  • StarGazer Public

    StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a novel target prioritization scoring system in an interactive Python-based Streamlit dashboard. StarGazer displays target prioritization scores for genes associated with 1844 phenotypic traits.

    Python 14 Apache-2.0 4 1 7 Updated Aug 23, 2022
  • qscheck Public

    An R library to perform assertions and decision on input arguments.

    R 0 Apache-2.0 0 4 0 Updated Aug 11, 2022
  • awesome-shapley-value Public

    Reading list for "The Shapley Value in Machine Learning" (JCAI 2022)

    68 Apache-2.0 3 0 0 Updated Aug 8, 2022
  • awesome-drug-pair-scoring Public

    Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

    70 Apache-2.0 10 0 0 Updated Aug 7, 2022
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