Folder creation and organization. The module pysoftk.folder_manager.folder_creator has been designed to create a user-defined number of folders with unique names. In the case of high-throughput calculations (HTC), usually many different systems are created in a single folder and then relocated to enable calculations or post-processing analyses to be conducted. As shown in Listing 7, this workflow can be carried out utilizing the function Fld () . file_to_dir ( " smi " ,2)