This workflow uses RDKit to standardise the input structures. The user can use SDF or SMILES structures and standardise them with various options. Please note that the workflow requires python > = 3.6 with the RDKit and pandas package. For more information pelase also look at out github repository.
This is a companion discussion topic for the original entry at https://kni.me/w/auOFJsQKZXJmSc_9