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    • Python
      MIT License
      135312Updated Aug 2, 2024Aug 2, 2024
    • Fast and accurate machine learning models for biochemical applications.
      Python
      MIT License
      115321Updated Jul 25, 2024Jul 25, 2024
    • ChemFold

      Public
      ChemFold provides several methods for computing train-validation-test splits, both in federated and non-federated (ordinary) ML settings.
      Python
      MIT License
      4811Updated Aug 19, 2023Aug 19, 2023
    • Python
      Apache License 2.0
      21041Updated May 12, 2023May 12, 2023
    • Calibration and uncertainty metrics used in the study of the applicability domain in federated multitask learning
      Jupyter Notebook
      MIT License
      2200Updated Nov 10, 2022Nov 10, 2022
    • 0000Updated Sep 30, 2022Sep 30, 2022
    • Jupyter Notebook
      0000Updated Sep 29, 2022Sep 29, 2022
    • Python
      0000Updated Sep 29, 2022Sep 29, 2022
    • datasets

      Public
      Collection of public datasets as for testing
      Creative Commons Attribution Share Alike 4.0 International
      0700Updated Nov 22, 2021Nov 22, 2021
    • MIT License
      0100Updated Oct 19, 2021Oct 19, 2021
    • Jupyter Notebook
      MIT License
      0810Updated Oct 7, 2021Oct 7, 2021