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@aidd-msca

Advanced machine learning for Innovative Drug Discovery (AIDD)

a Marie Sklodowska Curie Action

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  1. aidd-codebase aidd-codebase Public

    Public version of the AIDD consortium code base

    10

  2. registry-factory registry-factory Public

    An abstract implementation of the registry design pattern proposed in (Hartog et. al., 2023). Provides a factory for registries that dynamically organize modular functionalities.

    Python 9

  3. GraphQPT GraphQPT Public

    Repository to store the code for publication reproducibility

    Jupyter Notebook 4 2

  4. convergent_routes convergent_routes Public

    Python 2 1

  5. Properties-to-molecules-Inverse-Mapping Properties-to-molecules-Inverse-Mapping Public

    Forked from AleFalla/Properties-to-molecules-Inverse-Mapping

    Mapping properties to molecules in QM7-X

    Jupyter Notebook 1

  6. augmented-xai augmented-xai Public

    Forked from PeterHartog/augmented-xai

    Repository with code related to publication "Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition"

    Jupyter Notebook

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