:pencil: update docs (67e76e38) · Commits · 钟慕尧 / deepchem

deepchem/feat/binding_pocket_features.py

+2 −2

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		@@ -62,8 +62,8 @@ class BindingPocketFeaturizer(Featurizer):
		this class's implementation will only work for proteins and not for
		other macromolecules

		Notes
		-----
		Note
		----
		This class requires mdtraj to be installed.
		"""

+2 −2

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		@@ -43,8 +43,8 @@ class CGCNNFeaturizer(MaterialStructureFeaturizer):
		>>> print(type(feature))
		<class 'deepchem.feat.graph_data.GraphData'>

		Notes
		-----
		Note
		----
		This class requires Pymatgen to be installed.
		"""

+3 −3

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		@@ -19,7 +19,7 @@ class ElementPropertyFingerprint(MaterialCompositionFeaturizer):
		matminer. It may be useful when only crystal compositions are available
		(and not 3D coordinates).

		See references [1]_ [2]_ [3]_ [4]_ for more details.
		See references [1]_, [2]_, [3]_, [4]_ for more details.

		References
		----------
		@@ -37,8 +37,8 @@ class ElementPropertyFingerprint(MaterialCompositionFeaturizer):
		>>> featurizer = ElementPropertyFingerprint()
		>>> features = featurizer.featurize([comp])

		Notes
		-----
		Note
		----
		This class requires matminer and Pymatgen to be installed.
		`NaN` feature values are automatically converted to 0 by this featurizer.
		"""

+2 −2

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		@@ -39,8 +39,8 @@ class SineCoulombMatrix(MaterialStructureFeaturizer):
		>>> featurizer = SineCoulombMatrix(max_atoms=2)
		>>> features = featurizer.featurize([structure])

		Notes
		-----
		Note
		----
		This class requires matminer and Pymatgen to be installed.
		"""

+1 −1

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		@@ -10,7 +10,7 @@ from deepchem.utils.typing import RDKitMol
		class AtomicCoordinates(MolecularFeaturizer):
		"""Calculate atomic coordinates.

		Notes
		Note
		----
		This class requires RDKit to be installed.
		"""