add timestamp parameter for parallel computing (0de23988) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/pdbbind_datasets.py

+7 −1

Original line number	Diff line number	Diff line
		@@ -145,7 +145,8 @@ def load_pdbbind(reload=True,
		featurizer="grid",
		split="random",
		split_seed=None,
		save_dir=None):
		save_dir=None,
		save_timestamp=False):
		"""Load and featurize raw PDBBind dataset.

		Parameters
		@@ -176,6 +177,11 @@ def load_pdbbind(reload=True,
		save_folder = os.path.join(
		save_dir, "full_protein-%s-%s-%s" % (subset, featurizer, split))

		if save_timestamp:
		save_folder = "%s-%s-%s" % (
		save_folder, time.strftime("%Y%m%d", time.localtime()),
		re.search("\.(.*)", str(time.time())).group(1))

		if reload:
		if not os.path.exists(save_folder):
		raise IOError("Cannot find saved dataset from %s!" % save_folder)