class_docstr: QM9Edge dataset for graph property prediction (regression)
  
  This dataset consists of 130,831 molecules with 19 regression targets.
  Nodes correspond to atoms and edges correspond to bonds.
  
  This dataset differs from :class:`~dgl.data.QM9Dataset` in the following aspects:
      1. It includes the bonds in a molecule in the edges of the corresponding graph while the edges in :class:`~dgl.data.QM9Dataset` are purely distance-based.
      2. It provides edge features, and node features in addition to the atoms' coordinates and atomic numbers.
      3. It provides another 7 regression tasks(from 12 to 19).
  
  This class is built based on a preprocessed version of the dataset, and we provide the preprocessing datails `here <https://gist.github.com/hengruizhang98/a2da30213b2356fff18b25385c9d3cd2>`_.
  
  Reference:
  
  - `"MoleculeNet: A Benchmark for Molecular Machine Learning" <https://arxiv.org/abs/1703.00564>`_
  - `"Neural Message Passing for Quantum Chemistry" <https://arxiv.org/abs/1704.01212>`_
  
  For
  Statistics:
  
  - Number of graphs: 130,831.
  - Number of regression targets: 19.
  
  Node attributes:
  
  - pos: the 3D coordinates of each atom.
  - attr: the 11D atom features.
  
  Edge attributes:
  
  - edge_attr: the 4D bond features.
  
  Regression targets:
  
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | Keys   | Property                         | Description                                                                       | Unit                                        |
  +========+==================================+===================================================================================+=============================================+
  | mu     | :math:`\mu`                      | Dipole moment                                                                     | :math:`\textrm{D}`                          |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | alpha  | :math:`\alpha`                   | Isotropic polarizability                                                          | :math:`{a_0}^3`                             |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | homo   | :math:`\epsilon_{\textrm{HOMO}}` | Highest occupied molecular orbital energy                                         | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | lumo   | :math:`\epsilon_{\textrm{LUMO}}` | Lowest unoccupied molecular orbital energy                                        | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | gap    | :math:`\Delta \epsilon`          | Gap between :math:`\epsilon_{\textrm{HOMO}}` and :math:`\epsilon_{\textrm{LUMO}}` | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | r2     | :math:`\langle R^2 \rangle`      | Electronic spatial extent                                                         | :math:`{a_0}^2`                             |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | zpve   | :math:`\textrm{ZPVE}`            | Zero point vibrational energy                                                     | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | U0     | :math:`U_0`                      | Internal energy at 0K                                                             | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | U      | :math:`U`                        | Internal energy at 298.15K                                                        | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | H      | :math:`H`                        | Enthalpy at 298.15K                                                               | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | G      | :math:`G`                        | Free energy at 298.15K                                                            | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | Cv     | :math:`c_{\textrm{v}}`           | Heat capavity at 298.15K                                                          | :math:`\frac{\textrm{cal}}{\textrm{mol K}}` |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | U0_atom| :math:`U_0^{\textrm{ATOM}}`      | Atomization energy at 0K                                                          | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | U_atom | :math:`U^{\textrm{ATOM}}`        | Atomization energy at 298.15K                                                     | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | H_atom | :math:`H^{\textrm{ATOM}}`        | Atomization enthalpy at 298.15K                                                   | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | G_atom | :math:`G^{\textrm{ATOM}}`        | Atomization free energy at 298.15K                                                | :math:`\textrm{eV}`                         |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | A      | :math:`A`                        | Rotational constant                                                               | :math:`\textrm{GHz}`                        |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | B      | :math:`B`                        | Rotational constant                                                               | :math:`\textrm{GHz}`                        |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  | C      | :math:`C`                        | Rotational constant                                                               | :math:`\textrm{GHz}`                        |
  +--------+----------------------------------+-----------------------------------------------------------------------------------+---------------------------------------------+
  
  Parameters
  ----------
  label_keys : list
      Names of the regression property, which should be a subset of the keys in the table above.
      If not provided, it will load all the labels.
  raw_dir : str
      Raw file directory to download/contains the input data directory.
      Default: ~/.dgl/
  force_reload : bool
      Whether to reload the dataset. Default: False.
  verbose : bool
      Whether to print out progress information. Default: True.
  transform : callable, optional
      A transform that takes in a :class:`~dgl.DGLGraph` object and returns
      a transformed version. The :class:`~dgl.DGLGraph` object will be
      transformed before every access.
  
  Attributes
  ----------
  num_tasks : int
      Number of prediction tasks
  num_labels : int
      (DEPRECATED, use num_tasks instead) Number of prediction tasks
  
  Raises
  ------
  UserWarning
      If the raw data is changed in the remote server by the author.
  
  Examples
  --------
  >>> data = QM9EdgeDataset(label_keys=['mu', 'alpha'])
  >>> data.num_tasks
  2
  
  >>> # iterate over the dataset
  >>> for graph, labels in data:
  ...     print(graph) # get information of each graph
  ...     print(labels) # get labels of the corresponding graph
  ...     # your code here...
  >>>
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docstr: Get graph and label by index
  
  Parameters
  ----------
  idx : int
      Item index
  
  Returns
  -------
  dgl.DGLGraph
     The graph contains:
  
     - ``ndata['pos']``: the coordinates of each atom
     - ``ndata['attr']``: the features of each atom
     - ``edata['edge_attr']``: the features of each bond
  
  Tensor
      Property values of molecular graphs
docstr_tok: ["Get","graph","and","label","by","index","Parameters","--","--","--","--","--","idx",":","int","Item","index","Returns","--","--","--","-","dgl.DGLGraph","The","graph","contains",":","-","``","ndata","[","'pos","'","]","``",":","the","coordinates","of","each","atom","-","``","ndata","[","'attr","'","]","``",":","the","features","of","each","atom","-","``","edata","[","'edge_attr","'","]","``",":","the","features","of","each","bond","Tensor","Property","values","of","molecular","graphs"]
code: def __getitem__(self, idx):
      r"""Get graph and label by index
  
      Parameters
      ----------
      idx : int
          Item index
  
      Returns
      -------
      dgl.DGLGraph
         The graph contains:
  
         - ``ndata['pos']``: the coordinates of each atom
         - ``ndata['attr']``: the features of each atom
         - ``edata['edge_attr']``: the features of each bond
  
      Tensor
          Property values of molecular graphs
      """
  
      pos = self.node_pos[self.n_cumsum[idx] : self.n_cumsum[idx + 1]]
      src = self.src[self.ne_cumsum[idx] : self.ne_cumsum[idx + 1]]
      dst = self.dst[self.ne_cumsum[idx] : self.ne_cumsum[idx + 1]]
  
      g = dgl_graph((src, dst))
  
      g.ndata["pos"] = F.tensor(pos, dtype=F.data_type_dict["float32"])
      g.ndata["attr"] = F.tensor(
          self.node_attr[self.n_cumsum[idx] : self.n_cumsum[idx + 1]],
          dtype=F.data_type_dict["float32"],
      )
      g.edata["edge_attr"] = F.tensor(
          self.edge_attr[self.ne_cumsum[idx] : self.ne_cumsum[idx + 1]],
          dtype=F.data_type_dict["float32"],
      )
  
      label = F.tensor(
          self.targets[idx][self.label_keys],
          dtype=F.data_type_dict["float32"],
      )
  
      if self._transform is not None:
          g = self._transform(g)
  
      return g, label
  
file_path: dgl/python/dgl/data/qm9_edge.py
imports: import os
  import numpy
  from ..None import backend
  from ..convert import graph
  from .dgl_dataset import DGLDataset
  from .utils import _get_dgl_url, download, extract_archive
label_desc: Use image node_id 8 for calling the QM9EdgeDataset obj's underlying member method code with example usage: obj.__getitem__(idx) and returns: g,  label