Update data/check_smiles_split.py

Co-authored-by: Kevin M Jablonka <[email protected]>

data/check_smiles_split.py

@@ -1,4 +1,10 @@
-"""This script checks for data leakage in the splits of a tabular dataset."""
+"""This script checks for data leakage in the splits of a tabular dataset.
+
+The checks in this script are more general and focus on the `identifier` defined in the `meta.yaml` files. 
+Errors will be thrown if there are identical identifier values in train/val train/test or val/test sets.
+
+This script uses dask. This might cause some errors with mismatching data types, for which there are currently a few fallbacks. 
+"""
 import os
 from glob import glob
 from pathlib import Path