get_lobster_feats

get_lobster_feats#

mlproject.data.featurizer.get_lobster_feats(path_to_lobster_calcs, n_jobs=8)[source]#

Get featurized dataframe using parent directory path with LOBSTER calcs.

Uses LobsterPy featurizer implementations.

Parameters:

  • path_to_lobster_calcs (str) – Path to parent directory containing all LOBSTER calcs

  • n_jobs (int) – Number of parallel jobs to run for featurization

Returns:

A pandas DataFrame with features extracted from LOBSTER output files

Return type:

DataFrame

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