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@C-H-activation

C-H activators

Computational methods for C-H activation in aromatic systems.

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  1. ICB-workflow ICB-workflow Public

    SoBo regioselectivity model for the iridium-catalyzed borylation.

    Python 3

  2. ICB-workflow-dask ICB-workflow-dask Public

    Dask SLURM workflow for the Iridium-catalyzed borylation.

    Python 1

  3. ICB_db_regioselectivity ICB_db_regioselectivity Public

    TeX

  4. ICB-ml-training ICB-ml-training Public

    Machine learning training set for the Iridium-catalyzed borylation.

    Python 2

  5. ICB-validation ICB-validation Public

    Validation set for the Iridium-catalyzed borylation.

  6. minisci minisci Public

    Regioselectivity determination for the Minisci reaction.

    Python

Repositories

Showing 6 of 6 repositories
  • ICB-ml-training Public

    Machine learning training set for the Iridium-catalyzed borylation.

    C-H-activation/ICB-ml-training’s past year of commit activity
    Python 0 MIT 2 0 0 Updated Jan 24, 2024
  • ICB-workflow Public

    SoBo regioselectivity model for the iridium-catalyzed borylation.

    C-H-activation/ICB-workflow’s past year of commit activity
    Python 3 MIT 0 0 0 Updated Nov 20, 2023
  • minisci Public

    Regioselectivity determination for the Minisci reaction.

    C-H-activation/minisci’s past year of commit activity
    Python 0 0 0 0 Updated Sep 23, 2022
  • ICB-workflow-dask Public

    Dask SLURM workflow for the Iridium-catalyzed borylation.

    C-H-activation/ICB-workflow-dask’s past year of commit activity
    Python 1 0 0 0 Updated Apr 4, 2022
  • ICB-validation Public

    Validation set for the Iridium-catalyzed borylation.

    C-H-activation/ICB-validation’s past year of commit activity
    0 0 0 0 Updated Mar 14, 2022
  • C-H-activation/ICB_db_regioselectivity’s past year of commit activity
    TeX 0 MIT 0 0 0 Updated Mar 23, 2021

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