receive kwargs
@@ -61,7 +61,7 @@ class ScaffoldSplitter(BaseSplitter):
def train_valid_test_split(self, dataset, smiles_list, frac_train=0.8,
frac_valid=0.1, frac_test=0.1, converter=None,
return_index=True, seed=None,
- include_chirality=False):
+ include_chirality=False, **kwargs):
"""Generate indices by splittting based on the scaffold of small
molecules into train, valid and test set.
@@ -89,11 +89,12 @@ class ScaffoldSplitter(BaseSplitter):
.train_valid_test_split(dataset, frac_train, frac_valid, frac_test,
converter, return_index, seed=seed,
smiles_list=smiles_list,
- include_chirality=include_chirality)
+ include_chirality=include_chirality,
+ **kwargs)
def train_valid_split(self, dataset, smiles_list, frac_train=0.9,
frac_valid=0.1, converter=None, return_index=True,
- seed=None, include_chirality=False):
+ seed=None, include_chirality=False, **kwargs):
"""Generate indices by splittting based on the scaffold of small
molecules into train and valid set.
@@ -121,4 +122,4 @@ class ScaffoldSplitter(BaseSplitter):
.train_valid_split(dataset, frac_train, frac_valid, converter,
return_index, seed=seed,
smiles_list=smiles_list,
- include_chirality=include_chirality)
+ include_chirality=include_chirality, **kwargs)
