:bug: change default True in canonical option (3dcbd15d) · Commits · 钟慕尧 / deepchem

deepchem/feat/base_classes.py

+2 −2

Original line number	Diff line number	Diff line
		@@ -157,7 +157,7 @@ class MolecularFeaturizer(Featurizer):
		The subclasses of this class require RDKit to be installed.
		"""

		def featurize(self, molecules, log_every_n=1000, canonical=False):
		def featurize(self, molecules, log_every_n=1000, canonical=True):
		"""Calculate features for molecules.

		Parameters
		@@ -167,7 +167,7 @@ class MolecularFeaturizer(Featurizer):
		strings.
		log_every_n: int, default 1000
		Logging messages reported every `log_every_n` samples.
		canonical: bool, default False
		canonical: bool, default True
		Whether to use a canonical order of atoms returned by RDKit

		Returns