Update README.md

Author: sfluegel05

README.md

@@ -51,6 +51,7 @@ python3 -m chebai predict_from_file --model=[path-to-model-config] --checkpoint_
 ```
 The input files should contain a list of line-separated SMILES strings. This generates a CSV file  that contains the
 one row for each SMILES string and one column for each class.
+The `classes_path` is the path to the dataset's `raw/classes.txt` file that contains the relationship between model output and ChEBI-IDs.
 
 ## Evaluation
 
@@ -68,4 +69,4 @@ and the fold to be used in the current optimisation run as
 --data.init_args.fold_index=I
 ```
 To train K models, you need to do K such calls, each with a different `fold_index`. On the first call with a given 
-`inner_k_folds`, all folds will be created and stored in the data directory
+`inner_k_folds`, all folds will be created and stored in the data directory