Revert "add group key + convert generator to list"

This reverts commit e4caae8.

Author: aditya0by0

chebai/preprocessing/datasets/tox21.py

@@ -68,7 +68,7 @@ def download(self) -> None:
     def setup_processed(self) -> None:
         """Processes and splits the dataset."""
         print("Create splits")
-        data = list(self._load_data_from_file(os.path.join(self.raw_dir, f"tox21.csv")))
+        data = self._load_data_from_file(os.path.join(self.raw_dir, f"tox21.csv"))
         groups = np.array([d["group"] for d in data])
         if not all(g is None for g in groups):
             split_size = int(len(set(groups)) * self.train_split)
@@ -145,10 +145,7 @@ def _load_data_from_file(self, input_file_path: str) -> List[Dict]:
                 labels = [
                     bool(int(l)) if l else None for l in (row[k] for k in self.HEADERS)
                 ]
-                group = row.get("group", None)
-                yield dict(
-                    features=smiles, labels=labels, ident=row["mol_id"], group=group
-                )
+                yield dict(features=smiles, labels=labels, ident=row["mol_id"])
 
 
 class Tox21Challenge(XYBaseDataModule):