During the preprocessing step, raw data (KLIFS download) is filtered (discard KLIFS entries based on different criteria); the resulting filtered dataset is saved as filtered_ligands.csv file in the KLIFS_download folder (alongside the raw data).
I suggest to save that file in the fragment_library folder instead, so that the raw data folder is not altered.
During the preprocessing step, raw data (KLIFS download) is filtered (discard KLIFS entries based on different criteria); the resulting filtered dataset is saved as
filtered_ligands.csvfile in theKLIFS_downloadfolder (alongside the raw data).I suggest to save that file in the
fragment_libraryfolder instead, so that the raw data folder is not altered.