drugforge.data.services.postera.manifold_data_validation.drop_non_output_columns

drugforge.data.services.postera.manifold_data_validation.drop_non_output_columns(df: DataFrame, allow: list[str] | None = []) → DataFrame

Drop columns of a docking result dataframe that are not allowed OutputTags ie the members of OutputTags.get_values() and StaticTags.get_values()

Parameters:

• df (pd.DataFrame) – Pandas dataframe of docking results

• allow (list[str], optional) – List of additional columns to allow

Returns:

df – Pandas dataframe with invalid columns dropped

Return type:

pd.DataFrame