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little fix
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ZHENQIN WU committed Feb 1, 2017
1 parent 5244ca0 commit 0db2156
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions examples/gdb7/gdb7_datasets.py
Original file line number Diff line number Diff line change
Expand Up @@ -46,9 +46,9 @@ def load_gdb7(featurizer=None, split='random'):
dataset_file = os.path.join(
current_dir, "./gdb7.sdf")
gdb7_tasks = ["u0_atom"]
if featurizer == None:
featurizer = dc.feat.CoulombMatrix(23)
loader = dc.data.SDFLoader(tasks=gdb7_tasks, smiles_filed="smiles",
if featurizer is None:
featurizer = dc.feat.CoulombMatrixEig(23)
loader = dc.data.SDFLoader(tasks=gdb7_tasks, smiles_filed="smiles",
mol_field="mol", featurizer=featurizer)
dataset = loader.featurize(dataset_file)

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