Screening hole transport materials for perovskite solar cells assisted by machine learning

Repository for the code for the paper "Screening hole transport materials for perovskite solar cells assisted by machine learning" .

Requirements

TODO

Data

The minimal data for the machine learning section of the paper can be found in data .

Code

To rerun all fits and make the plots of the paper you can run the scripts with main prefix:

• main_MTGPR.py
• main_linear.py
• main_model_selection.py
• main_rfm.py
• main_stats.py

other modules contain class, functions and utilites for features and training.