Make PubChem datasets **dynamic** / Remove unsupported PubChem classes (#167)

* update pubchem for dynamic dataset

* move classes.txt property (not used by unlabeled datasets like PubChem)

* update configs

Author: sfluegel05

chebai/preprocessing/datasets/base.py

@@ -1267,16 +1267,3 @@ def processed_file_names_dict(self) -> dict:
         if self.n_token_limit is not None:
             return {"data": f"data_maxlen{self.n_token_limit}.pt"}
         return {"data": "data.pt"}
-
-    @property
-    def classes_txt_file_path(self) -> str:
-        """
-        Returns the filename for the classes text file.
-
-        Returns:
-            str: The filename for the classes text file.
-        """
-        # This property also used in following places:
-        #   - chebai/result/prediction.py: to load class names for csv columns names
-        #   - chebai/cli.py: to link this property to `model.init_args.classes_txt_file_path`
-        return os.path.join(self.processed_dir_main, "classes.txt")

chebai/preprocessing/datasets/chebi.py

@@ -519,6 +519,19 @@ def processed_file_names_dict(self) -> dict:
             }
         return {"data": f"aug_data_var{self.aug_smiles_variations}.pt"}
 
+    @property
+    def classes_txt_file_path(self) -> str:
+        """
+        Returns the filename for the classes text file.
+
+        Returns:
+            str: The filename for the classes text file.
+        """
+        # This property also used in following places:
+        #   - chebai/result/prediction.py: to load class names for csv columns names
+        #   - chebai/cli.py: to link this property to `model.init_args.classes_txt_file_path`
+        return os.path.join(self.processed_dir_main, "classes.txt")
+
 
 class ChEBIFromList(_ChEBIDataExtractor):
     """