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@AstraZeneca

AstraZeneca

Data and AI: Unlocking new science insights

Pinned

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

    1.5k 104

  2. kallisto Public

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

    Python 25 13

Repositories

  • rexmex Public

    A general purpose recommender metrics library for fair evaluation.

    Python 93 7 1 3 Updated Jan 5, 2022
  • chemicalx Public

    A PyTorch based deep learning library for drug pair scoring.

    Python 40 Apache-2.0 3 4 0 Updated Jan 5, 2022
  • awesome-explainable-graph-reasoning Public

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

    1,540 Apache-2.0 104 1 0 Updated Jan 4, 2022
  • awesome-drug-pair-scoring Public

    Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring."

    54 Apache-2.0 10 0 0 Updated Jan 3, 2022
  • peptide-tools Public

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

    Python 1 Apache-2.0 0 0 0 Updated Dec 17, 2021
  • roo Public

    A package and environment manager for R

    Python 0 Apache-2.0 0 22 0 Updated Dec 15, 2021
  • skywalkR Public

    code for Gogleva et al manuscript

    R 21 Apache-2.0 3 0 0 Updated Nov 24, 2021
  • skywalkR-graph-features Public

    Example notebooks that illustrate how to generate knowledge-based features. Features can be used in a variety of ML models, including recommender systems.

    Jupyter Notebook 2 Apache-2.0 0 0 0 Updated Nov 17, 2021
  • SubTab Public

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

    Python 39 Apache-2.0 8 0 0 Updated Nov 17, 2021
  • 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).

    Jupyter Notebook 0 Apache-2.0 0 0 0 Updated Nov 16, 2021