add split==None feature for all the load_function (34d2f070) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/bace_datasets.py

+30 −24

Original line number	Diff line number	Diff line
		@@ -57,6 +57,9 @@ def load_bace_regression(featurizer='ECFP', split='random', reload=True):
		for transformer in transformers:
		dataset = transformer.transform(dataset)

		if split == None:
		return bace_tasks, (dataset, None, None), transformers
		else:
		splitters = {
		'index': deepchem.splits.IndexSplitter(),
		'random': deepchem.splits.RandomSplitter(),
		@@ -118,6 +121,9 @@ def load_bace_classification(featurizer='ECFP', split='random', reload=True):
		for transformer in transformers:
		dataset = transformer.transform(dataset)

		if split == None:
		return bace_tasks, (dataset, None, None), transformers
		else:
		splitters = {
		'index': deepchem.splits.IndexSplitter(),
		'random': deepchem.splits.RandomSplitter(),

+14 −11

Original line number	Diff line number	Diff line
		@@ -51,6 +51,9 @@ def load_bbbp(featurizer='ECFP', split='random', reload=True):
		for transformer in transformers:
		dataset = transformer.transform(dataset)

		if split == None:
		return bbbp_tasks, (dataset, None, None), transformers
		else:
		splitters = {
		'index': deepchem.splits.IndexSplitter(),
		'random': deepchem.splits.RandomSplitter(),

+16 −13

Original line number	Diff line number	Diff line
		@@ -103,6 +103,9 @@ def load_chembl(shard_size=2000,
		for transformer in transformers:
		dataset = transformer.transform(dataset)

		if spit == None:
		return chembl_tasks, (dataset, None, None), transformers
		else:
		splitters = {
		'index': deepchem.splits.IndexSplitter(),
		'random': deepchem.splits.RandomSplitter(),

+14 −11

Original line number	Diff line number	Diff line
		@@ -54,6 +54,9 @@ def load_clearance(featurizer='ECFP', split='random', reload=True):
		for transformer in transformers:
		dataset = transformer.transform(dataset)

		if split == None:
		return clearance_tasks, (dataset, None, None), transformers
		else:
		splitters = {
		'index': deepchem.splits.IndexSplitter(),
		'random': deepchem.splits.RandomSplitter(),

+15 −11

Original line number	Diff line number	Diff line
		@@ -59,6 +59,10 @@ def load_clintox(featurizer='ECFP', split='index', reload=True):

		# Split clintox dataset
		print("About to split clintox dataset.")

		if split == None:
		return clintox_tasks, (dataset, None, None), transformers
		else:
		splitters = {
		'index': deepchem.splits.IndexSplitter(),
		'random': deepchem.splits.RandomSplitter(),