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Merge pull request #440 from lilleswing/RdkitGridFeaturizer-cr2
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Rdkit Grid Featurizer For Pdbbind benchmark
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rbharath committed Mar 8, 2017
2 parents 7fe2b75 + 6b33108 commit d77ccf9
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1 change: 1 addition & 0 deletions deepchem/feat/__init__.py
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from deepchem.feat.coulomb_matrices import CoulombMatrix
from deepchem.feat.coulomb_matrices import CoulombMatrixEig
from deepchem.feat.grid_featurizer import GridFeaturizer
from deepchem.feat.rdkit_grid_featurizer import RdkitGridFeaturizer
from deepchem.feat.nnscore_utils import hydrogenate_and_compute_partial_charges
from deepchem.feat.binding_pocket_features import BindingPocketFeaturizer
from deepchem.feat.one_hot import OneHotFeaturizer
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