To create user script using moloi as a library, you can import the following modules:
- from moloi.config_processing import read_model_config - to load the hyperparameters search grid
- from moloi.evaluation import evaluate, make_scoring - to create plots, report and get the result of the model evaluation
- from moloi.splits.cv import create_cv - to create a non-random split
- from moloi.data_processing import get_data, clean_data - to extract features from SMILES using prepared descriptors
- from moloi.models.keras_models import Logreg, create_callbacks - to use one of the ready-made Keras models