Merge pull request #447 from miaecle/molnet

import deepchem.trans

import deepchem.utils

import deepchem.dock

import deepchem.molnet

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

from deepchem.feat.raw_featurizer import RawFeaturizer

#!/usr/bin/env python2

# -*- coding: utf-8 -*-

from __future__ import print_function

from __future__ import division

from __future__ import unicode_literals

from rdkit import Chem

from deepchem.feat import Featurizer

class RawFeaturizer(Featurizer):

  def __init__(self, smiles=False):

    self.smiles = smiles

  def _featurize(self, mol):

    if self.smiles:

      return Chem.MolToSmiles(mol)

    else:

      return mol

from deepchem.molnet.load_function.chembl_datasets import load_chembl

from deepchem.molnet.load_function.clintox_datasets import load_clintox

from deepchem.molnet.load_function.delaney_datasets import load_delaney

from deepchem.molnet.load_function.hiv_datasets import load_hiv

from deepchem.molnet.load_function.kaggle_datasets import load_kaggle

from deepchem.molnet.load_function.muv_datasets import load_muv

from deepchem.molnet.load_function.nci_datasets import load_nci

from deepchem.molnet.load_function.pcba_datasets import load_pcba

from deepchem.molnet.load_function.pdbbind_datasets import load_pdbbind_grid

from deepchem.molnet.load_function.qm7_datasets import load_qm7_from_mat, load_qm7b_from_mat

from deepchem.molnet.load_function.qm9_datasets import load_qm9

from deepchem.molnet.load_function.sampl_datasets import load_sampl

from deepchem.molnet.load_function.sider_datasets import load_sider

from deepchem.molnet.load_function.tox21_datasets import load_tox21

from deepchem.molnet.load_function.toxcast_datasets import load_toxcast

from deepchem.molnet.run_benchmark import run_benchmark