little change (d9d479a2) · Commits · 钟慕尧 / deepchem

examples/benchmark.py

+8 −4

Original line number	Diff line number	Diff line
		@@ -92,12 +92,18 @@ def benchmark_loading_datasets(hyper_parameters,

		if dataset in ['kaggle']:
		featurizer = None #kaggle dataset use its own features
		if split in ['random', 'scaffold']:
		return
		else:
		split = None #kaggle dataset is already splitted
		if not model in ['tf_regression']:
		return

		if dataset in ['pdbbind']:
		featurizer = 'grid' #pdbbind use grid featurizer
		if split in ['scaffold']:
		return #skip the scaffold splitting of pdbbind
		elif not model in ['tf_regression']:
		if not model in ['tf_regression']:
		return

		if not split in [None, 'index','random','scaffold']:
		@@ -570,8 +576,6 @@ if __name__ == '__main__':
		benchmark_loading_datasets(
		hps, dataset=dataset, model=model, split=split, out_path='.')
		else:
		if dataset in ['kaggle']:
		datasets.remove('kaggle') #kaggle only needs to be run once
		for model in models:
		if model in ['tf_regression', 'graphconvreg']:
		benchmark_loading_datasets(