Loading deepchem/trans/transformers.py +17 −3 Original line number Diff line number Diff line Loading @@ -2474,6 +2474,8 @@ class DataTransforms(object): class RxnSplitTransformer(Transformer): def __init__(self): # the transformer would have to split the source and target sequences # would also consider adding the option of separating the reagent here. pass def transform_array( Loading Loading @@ -2512,5 +2514,17 @@ class RxnSplitTransformer(Transformer): return (X, y, w, ids) def untransform(self, transformed: np.ndarray) -> np.ndarray: return super().untransform(transformed) def untransform(self, z: np.ndarray) -> np.ndarray: """ Undo transformation on provided data. Parameters ---------- z: np.ndarray Array to transform back Returns ------- np.ndarray Array with normalization undone. """ # TODO return super().untransform(z) Loading
deepchem/trans/transformers.py +17 −3 Original line number Diff line number Diff line Loading @@ -2474,6 +2474,8 @@ class DataTransforms(object): class RxnSplitTransformer(Transformer): def __init__(self): # the transformer would have to split the source and target sequences # would also consider adding the option of separating the reagent here. pass def transform_array( Loading Loading @@ -2512,5 +2514,17 @@ class RxnSplitTransformer(Transformer): return (X, y, w, ids) def untransform(self, transformed: np.ndarray) -> np.ndarray: return super().untransform(transformed) def untransform(self, z: np.ndarray) -> np.ndarray: """ Undo transformation on provided data. Parameters ---------- z: np.ndarray Array to transform back Returns ------- np.ndarray Array with normalization undone. """ # TODO return super().untransform(z)
