Data_preprocessing

autoplex.data.common.jobs.Data_preprocessing(vasp_ref_dir, test_ratio=0.5, regularization=False, distillation=False, f_max=40.0, force_label='REF_forces', pre_database_dir=None, etup=None)

Preprocesse data to a suitable format for fiting machine learning models.

Parameters:

• vasp_ref_dir (str) –

• test_ratio (float) –

• regularization (bool) –

• distillation (bool) –

• f_max (float) –

• force_label (str) –

• pre_database_dir (str) –

• etup (list[tuple]) –