`mechanoChemML.workflows.active_learning.hp_search`¶

Module Contents¶

`submitHPSearch`(n_sets, rnd, job_manager)	A function to submit the job scripts for a each set of hyperparameters
`hyperparameterSearch`(rnd, N_sets, job_manager=’LSF’)	A function that initializes and manages the hyperparameter search in the active learning workflow.

mechanoChemML.workflows.active_learning.hp_search.submitHPSearch(n_sets, rnd, job_manager)[source]¶

A function to submit the job scripts for a each set of hyperparameters in the hyperparameter search in the active learning workflow.

(Still needs to be generalized).

Parameters:	n_sets (int) – The number of hyperparameter sets to run. rnd (int) – The current round (workflow iteration) number.

mechanoChemML.workflows.active_learning.hp_search.hyperparameterSearch(rnd, N_sets, job_manager='LSF')[source]¶

A function that initializes and manages the hyperparameter search in the active learning workflow.

(Still needs to be generalized).

Parameters:	N_sets (int) – The number of hyperparameter sets to run. rnd (int) – The current round (workflow iteration) number.