style fixing (1556fe10) · Commits · 钟慕尧 / deepchem

deepchem/feat/raw_featurizer.py

+3 −2

Original line number	Diff line number	Diff line
		@@ -7,6 +7,7 @@ from __future__ import unicode_literals
		from rdkit import Chem
		from deepchem.feat import Featurizer


		class RawFeaturizer(Featurizer):

		def __init__(self, smiles=False):

+2044 −1

File changed.

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+2 −5

Original line number	Diff line number	Diff line
		@@ -64,8 +64,7 @@ parser.add_argument(
		dest='dataset_args',
		default=[],
		help='Choice of dataset: tox21, sider, muv, toxcast, pcba, ' +
		'kaggle, delaney, nci, pdbbind, chembl, sampl, qm7, qm7b, qm9, clintox, hiv'
		)
		'kaggle, delaney, nci, pdbbind, chembl, sampl, qm7, qm7b, qm9, clintox, hiv')
		parser.add_argument(
		'-t',
		action='store_true',
		@@ -83,8 +82,7 @@ if len(splitters) == 0:
		splitters = ['index', 'random', 'scaffold']
		if len(models) == 0:
		models = [
		'tf', 'tf_robust', 'logreg', 'graphconv', 'tf_regression',
		'graphconvreg'
		'tf', 'tf_robust', 'logreg', 'graphconv', 'tf_regression', 'graphconvreg'
		]
		#irv, rf, rf_regression should be assigned manually
		if len(datasets) == 0:
		@@ -93,7 +91,6 @@ if len(datasets) == 0:
		'delaney', 'nci', 'kaggle', 'pdbbind', 'chembl', 'qm7b', 'qm9'
		]


		for split in splitters:
		for dataset in datasets:
		if dataset in [