Commit c1c371d0 authored by nd-02110114's avatar nd-02110114
Browse files

🚧 wip commmit

parent 9038d588
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@@ -12,7 +12,7 @@ from subprocess import check_output
from typing import List, Optional, Tuple, Union

from deepchem.dock.binding_pocket import BindingPocketFinder
from deepchem.utils import download_url, get_data_dir
from deepchem.utils.data_utils import download_url, get_data_dir
from deepchem.utils.typing import RDKitMol
from deepchem.utils.geometry_utils import compute_centroid, compute_protein_range
from deepchem.utils.rdkit_utils import load_molecule, write_molecule
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@@ -5,7 +5,7 @@ import logging
import numpy as np
from deepchem.feat import Featurizer
from deepchem.feat import ComplexFeaturizer
from deepchem.utils import pad_array
from deepchem.utils.data_utils import pad_array
from deepchem.utils.rdkit_utils import MoleculeLoadException, get_xyz_from_mol, \
  load_molecule, merge_molecules_xyz, merge_molecules

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@@ -6,7 +6,7 @@ See Montavon et al., _New Journal of Physics_ __15__ (2013) 095003.
import numpy as np
import deepchem as dc
from deepchem.feat.base_classes import MolecularFeaturizer
from deepchem.utils import pad_array
from deepchem.utils.data_utils import pad_array
from deepchem.feat.atomic_coordinates import AtomicCoordinates


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@@ -3,7 +3,7 @@ import json
import numpy as np
from typing import Tuple

from deepchem.utils import download_url, get_data_dir
from deepchem.utils.data_utils import download_url, get_data_dir
from deepchem.utils.typing import PymatgenStructure
from deepchem.feat import MaterialStructureFeaturizer
from deepchem.feat.graph_data import GraphData
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@@ -2,7 +2,7 @@ import numpy as np

from deepchem.utils.typing import PymatgenStructure
from deepchem.feat import MaterialStructureFeaturizer
from deepchem.utils import pad_array
from deepchem.utils.data_utils import pad_array


class SineCoulombMatrix(MaterialStructureFeaturizer):
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