Loading deepchem/feat/base_classes.py +6 −6 Original line number Diff line number Diff line Loading @@ -214,8 +214,8 @@ class MolecularFeaturizer(Featurizer): Child classes need to implement the _featurize method for calculating features for a single molecule. Notes ----- Note ---- The subclasses of this class require RDKit to be installed. """ Loading Loading @@ -294,8 +294,8 @@ class MaterialStructureFeaturizer(Featurizer): classes need to implement the _featurize method for calculating features for a single crystal structure. Notes ----- Note ---- Some subclasses of this class will require pymatgen and matminer to be installed. """ Loading Loading @@ -360,8 +360,8 @@ class MaterialCompositionFeaturizer(Featurizer): classes need to implement the _featurize method for calculating features for a single crystal composition. Notes ----- Note ---- Some subclasses of this class will require pymatgen and matminer to be installed. """ Loading deepchem/feat/binding_pocket_features.py +2 −2 Original line number Diff line number Diff line Loading @@ -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. """ Loading deepchem/feat/material_featurizers/cgcnn_featurizer.py +2 −2 Original line number Diff line number Diff line Loading @@ -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. """ Loading deepchem/feat/material_featurizers/element_property_fingerprint.py +3 −3 Original line number Diff line number Diff line Loading @@ -20,7 +20,7 @@ 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 ---------- Loading @@ -38,8 +38,8 @@ 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. """ Loading deepchem/feat/material_featurizers/elemnet_featurizer.py +2 −2 Original line number Diff line number Diff line Loading @@ -36,8 +36,8 @@ class ElemNetFeaturizer(MaterialCompositionFeaturizer): >>> featurizer = ElemNetFeaturizer() >>> features = featurizer.featurize([comp]) Notes ----- Note ---- This class requires Pymatgen to be installed. """ Loading Loading
deepchem/feat/base_classes.py +6 −6 Original line number Diff line number Diff line Loading @@ -214,8 +214,8 @@ class MolecularFeaturizer(Featurizer): Child classes need to implement the _featurize method for calculating features for a single molecule. Notes ----- Note ---- The subclasses of this class require RDKit to be installed. """ Loading Loading @@ -294,8 +294,8 @@ class MaterialStructureFeaturizer(Featurizer): classes need to implement the _featurize method for calculating features for a single crystal structure. Notes ----- Note ---- Some subclasses of this class will require pymatgen and matminer to be installed. """ Loading Loading @@ -360,8 +360,8 @@ class MaterialCompositionFeaturizer(Featurizer): classes need to implement the _featurize method for calculating features for a single crystal composition. Notes ----- Note ---- Some subclasses of this class will require pymatgen and matminer to be installed. """ Loading
deepchem/feat/binding_pocket_features.py +2 −2 Original line number Diff line number Diff line Loading @@ -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. """ Loading
deepchem/feat/material_featurizers/cgcnn_featurizer.py +2 −2 Original line number Diff line number Diff line Loading @@ -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. """ Loading
deepchem/feat/material_featurizers/element_property_fingerprint.py +3 −3 Original line number Diff line number Diff line Loading @@ -20,7 +20,7 @@ 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 ---------- Loading @@ -38,8 +38,8 @@ 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. """ Loading
deepchem/feat/material_featurizers/elemnet_featurizer.py +2 −2 Original line number Diff line number Diff line Loading @@ -36,8 +36,8 @@ class ElemNetFeaturizer(MaterialCompositionFeaturizer): >>> featurizer = ElemNetFeaturizer() >>> features = featurizer.featurize([comp]) Notes ----- Note ---- This class requires Pymatgen to be installed. """ Loading
