extend parameters (4d85bbf4) · Commits · 钟慕尧 / deepchem

deepchem/molnet/run_benchmark.py

+5 −2

Original line number	Diff line number	Diff line
		@@ -27,6 +27,7 @@ def run_benchmark(datasets,
		out_path='.',
		hyper_parameters=None,
		test=False,
		reload=True,
		seed=123):
		"""
		Run benchmark test on designated datasets with deepchem(or user-defined) model
		@@ -58,6 +59,8 @@ def run_benchmark(datasets,
		hyper parameters for designated model, None = use preset values
		test: boolean, optional(default=False)
		whether to evaluate on test set
		reload: boolean, optional(default=True)
		whether to save and reload featurized datasets
		"""
		for dataset in datasets:
		if dataset in [
		@@ -132,10 +135,10 @@ def run_benchmark(datasets,
		if split is not None:
		print('Splitting function: %s' % split)
		tasks, all_dataset, transformers = loading_functions[dataset](
		featurizer=featurizer, split=split)
		featurizer=featurizer, split=split, reload=reload)
		else:
		tasks, all_dataset, transformers = loading_functions[dataset](
		featurizer=featurizer)
		featurizer=featurizer, reload=reload)

		train_dataset, valid_dataset, test_dataset = all_dataset