chore: blackening

src/gt4sd/algorithms/conditional_generation/regression_transformer/implementation.py

@@ -1013,7 +1013,7 @@ def validate_output(self, sequences: List[Any]) -> Tuple[List[Any], List[int]]:
             if isinstance(self.tokenizer.text_tokenizer, PolymerGraphTokenizer):
                 # Copolymer models require specific validation
                 return validate_molecules(
-                    pattern_list=list(zip(*sequences))[0], # type: ignore
+                    pattern_list=list(zip(*sequences))[0],  # type: ignore
                     input_type=MoleculeFormat.copolymer,
                 )
 

src/gt4sd/frameworks/cgcnn/data.py

@@ -241,7 +241,9 @@ def expand(self, distances: np.ndarray) -> np.ndarray:
               Expanded distance matrix with the last dimension of length
               len(self.filter).
         """
-        return np.exp(-((distances[..., np.newaxis] - self.filter) ** 2) / self.var**2)
+        return np.exp(
+            -((distances[..., np.newaxis] - self.filter) ** 2) / self.var**2
+        )
 
 
 class AtomInitializer:

src/gt4sd/frameworks/gflownet/dataloader/dataset.py

@@ -50,7 +50,10 @@ class GFlowNetDataset(Dataset):
     """A dataset for gflownet."""
 
     def __init__(
-        self, h5_file: str | None = None, target: str = "gap", properties: List[str] = []
+        self,
+        h5_file: str | None = None,
+        target: str = "gap",
+        properties: List[str] = [],
     ) -> None:
 
         """Initialize a gflownet dataset.