yapf (6dce5f81) · Commits · 钟慕尧 / deepchem

examples/benchmark.py

+2 −2

Original line number	Diff line number	Diff line
		@@ -104,8 +104,8 @@ def benchmark_loading_datasets(hyper_parameters,
		featurizer = 'GraphConv'
		n_features = 75
		elif model in [
		'tf', 'tf_robust', 'logreg', 'rf', 'irv', 'tf_regression', 'rf_regression',
		'xgb_classifier', 'xgb_regression'
		'tf', 'tf_robust', 'logreg', 'rf', 'irv', 'tf_regression',
		'rf_regression', 'xgb_classifier', 'xgb_regression'
		]:
		featurizer = 'ECFP'
		n_features = 1024

+4 −12

Original line number	Diff line number	Diff line
		@@ -104,8 +104,8 @@ def benchmark_loading_datasets(hyper_parameters,
		featurizer = 'GraphConv'
		n_features = 75
		elif model in [
		'tf', 'tf_robust', 'logreg', 'rf', 'irv', 'tf_regression', 'rf_regression',
		'xgb_classifier', 'xgb_regression'
		'tf', 'tf_robust', 'logreg', 'rf', 'irv', 'tf_regression',
		'rf_regression', 'xgb_classifier', 'xgb_regression'
		]:
		featurizer = 'ECFP'
		n_features = 1024
		@@ -938,9 +938,7 @@ if __name__ == '__main__':
		if len(splitters) == 0:
		splitters = ['index', 'random', 'scaffold']
		if len(models) == 0:
		models = [
		'xgb_classifier', 'xgb_regression'
		]
		models = ['xgb_classifier', 'xgb_regression']
		if len(datasets) == 0:
		datasets = [
		'tox21', 'sider', 'muv', 'toxcast', 'clintox', 'hiv', 'sampl',
		@@ -1064,7 +1062,6 @@ if __name__ == '__main__':
		'early_stopping_rounds': 100
		}]


		for split in splitters:
		for dataset in datasets:
		if dataset in [
		@@ -1100,9 +1097,4 @@ if __name__ == '__main__':
		dataset = 'pcba'
		model = 'xgb_classifier'
		benchmark_loading_datasets(
		hps,
		dataset=dataset,
		model=model,
		split=split,
		out_path='.',
		test=test)
		hps, dataset=dataset, model=model, split=split, out_path='.', test=test)