fix bug that PDB files do not match with labels

    print("\nFeaturized and splitted dataset:\n%s" % save_folder)

    if subset == "core":

    index_file = os.path.join(data_folder, "INDEX_core_name.2013")

    labels_file = os.path.join(data_folder, "INDEX_core_data.2013")

        index_labels_file = os.path.join(data_folder,

                                         "INDEX_core_data.2013")

    elif subset == "refined":

    index_file = os.path.join(data_folder, "INDEX_refined_name.2013")

    labels_file = os.path.join(data_folder, "INDEX_refined_data.2013")

        index_labels_file = os.path.join(data_folder,

                                         "INDEX_refined_data.2015")

    else:

        raise ValueError("Other subsets not supported")

  # Extract locations of data

  pdbs = []

  with open(index_file, "r") as g:

    lines = g.readlines()

    for line in lines:

      line = line.split(" ")

      pdb = line[0]

      if len(pdb) == 4:

        pdbs.append(pdb)

    # Extract locations of data

    with open(index_labels_file, "r") as g:

        pdbs = [line[:4] for line in g.readlines() if line[0] != "#"]

    if load_binding_pocket:

        protein_files = [

        os.path.join(data_folder, pdb, "%s_pocket.pdb" % pdb) for pdb in pdbs

            os.path.join(data_folder, pdb, "%s_pocket.pdb" % pdb)

            for pdb in pdbs

        ]

    else:

        protein_files = [

        os.path.join(data_folder, pdb, "%s_protein.pdb" % pdb) for pdb in pdbs

            os.path.join(data_folder, pdb, "%s_protein.pdb" % pdb)

            for pdb in pdbs

        ]

    ligand_files = [

        os.path.join(data_folder, pdb, "%s_ligand.sdf" % pdb) for pdb in pdbs

    ]

    # Extract labels

  labels = []

  with open(labels_file, "r") as f:

    lines = f.readlines()

    for line in lines:

      # Skip comment lines

      if line[0] == "#":

        continue

    with open(index_labels_file, "r") as g:

        labels = np.array([

            # Lines have format

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

      line = line.split()

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

      log_label = float(line[3])

      labels.append(log_label)

  labels = np.array(labels)

            float(line.split()[3]) for line in g.readlines() if line[0] != "#"

        ])

  # Featurize Data

  if featurizer == "grid":

    featurizer = rgf.RdkitGridFeaturizer(