C-H activators

Computational methods for C-H activation in aromatic systems.

Pinned Repositories

ICB-ml-training
Machine learning training set for the Iridium-catalyzed borylation.
Language:Python01
ICB-validation
Validation set for the Iridium-catalyzed borylation.
00
ICB-workflow
SoBo regioselectivity model for the iridium-catalyzed borylation.
Language:Python2 0 00
ICB-workflow-dask
Dask SLURM workflow for the Iridium-catalyzed borylation.
Language:Python00
ICB_db_regioselectivity
Language:TeX00

C-H activators's Repositories

C-H-activation/ICB-workflow
SoBo regioselectivity model for the iridium-catalyzed borylation.
Language:Python2 0 00
C-H-activation/ICB-ml-training
Machine learning training set for the Iridium-catalyzed borylation.
Language:Python01
C-H-activation/ICB-validation
Validation set for the Iridium-catalyzed borylation.
00
C-H-activation/ICB-workflow-dask
Dask SLURM workflow for the Iridium-catalyzed borylation.
Language:Python00
C-H-activation/ICB_db_regioselectivity
Language:TeX00