Commit f55f0ffa authored by Akshay Subramanian's avatar Akshay Subramanian
Browse files

Change name of featurizer to ElemNetFeaturizer

parent 40762ace

deepchem/feat/__init__.py

+1 −1
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@@ -42,7 +42,7 @@ from deepchem.feat.complex_featurizers import ComplexNeighborListFragmentAtomicC 
from deepchem.feat.material_featurizers import ElementPropertyFingerprint

from deepchem.feat.material_featurizers import SineCoulombMatrix

from deepchem.feat.material_featurizers import CGCNNFeaturizer

from deepchem.feat.material_featurizers import CompositionFeaturizer

from deepchem.feat.material_featurizers import ElemNetFeaturizer



try:

  import transformers

deepchem/feat/material_featurizers/__init__.py

+1 −1
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@@ -5,4 +5,4 @@ Featurizers for inorganic crystals. 
from deepchem.feat.material_featurizers.element_property_fingerprint import ElementPropertyFingerprint

from deepchem.feat.material_featurizers.sine_coulomb_matrix import SineCoulombMatrix

from deepchem.feat.material_featurizers.cgcnn_featurizer import CGCNNFeaturizer

from deepchem.feat.material_featurizers.composition_featurizer import CompositionFeaturizer
 
from deepchem.feat.material_featurizers.elemnet_featurizer import ElemNetFeaturizer

deepchem/feat/material_featurizers/composition_featurizer.py→deepchem/feat/material_featurizers/elemnet_featurizer.py

+2 −2
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@@ -15,7 +15,7 @@ elements_tl = [ 
]





class CompositionFeaturizer(MaterialCompositionFeaturizer):

class ElemNetFeaturizer(MaterialCompositionFeaturizer):

  """

  Fixed size vector of length 86 containing raw fractional elemental

  compositions in the compound. The 86 chosen elements are based on the
@@ -33,7 +33,7 @@ class CompositionFeaturizer(MaterialCompositionFeaturizer): 
  --------

  >>> import pymatgen as mg

  >>> comp = "Fe2O3"

  >>> featurizer = CompositionFeaturizer()

  >>> featurizer = ElemNetFeaturizer()

  >>> features = featurizer.featurize([comp])



  Notes

docs/source/api_reference/featurizers.rst

+2 −2
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@@ -229,10 +229,10 @@ ElementPropertyFingerprint 
.. autoclass:: deepchem.feat.ElementPropertyFingerprint

  :members:



CompositionFeaturizer

ElemNetFeaturizer

^^^^^^^^^^^^^^^^^^^^^



.. autoclass:: deepchem.feat.CompositionFeaturizer

.. autoclass:: deepchem.feat.ElemNetFeaturizer

  :members:



BindingPocketFeaturizer

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