Merge pull request #1503 from peastman/pdbbind

    for task in range(n_tasks):

      y_task = y_true[:, task]

      y_pred_task = y_pred[:, task]

      if len(w.shape) == 1:

        w_task = w

      else:

        w_task = w[:, task]

      metric_value = self.compute_singletask_metric(y_task, y_pred_task, w_task)

      # PDB code, resolution, release year, -logKd/Ki, Kd/Ki, reference, ligand name

      line = line.split()

      # The base-10 logarithm, -log kd/pk

      log_label = line[3]

      log_label = float(line[3])

      labels.append(log_label)

  labels = np.array(labels)

  # Featurize Data

                                                      protein_files)

  # Delete labels for failing elements

  labels = np.delete(labels, failures)

  labels = labels.reshape((len(labels), 1))

  dataset = deepchem.data.DiskDataset.from_numpy(features, labels)

  print('Featurization complete.')

  # No transformations of data