Fixing QM7 loader (e9d35a2d) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/qm7_datasets.py

+1 −5

Original line number	Diff line number	Diff line
		@@ -278,11 +278,7 @@ def load_qm7(featurizer='CoulombMatrix',
		qm7_tasks = ["u0_atom"]
		if featurizer == 'CoulombMatrix':
		featurizer = deepchem.feat.CoulombMatrixEig(23)
		loader = deepchem.data.SDFLoader(
		tasks=qm7_tasks,
		smiles_field="smiles",
		mol_field="mol",
		featurizer=featurizer)
		loader = deepchem.data.SDFLoader(tasks=qm7_tasks, featurizer=featurizer)
		dataset = loader.featurize(dataset_file)

		if split == None: