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StructureCloud

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CREMP-CycPeptMPDB

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StructureCloud 7

Error code:   StreamingRowsError
Exception:    CastError
Message:      Couldn't cast
n_total: int64
sample_size: int64
atoms_per_structure: struct<min: int64, max: int64, mean: double>
  child 0, min: int64
  child 1, max: int64
  child 2, mean: double
bounding_box_extent_angstrom: struct<side_min: double, side_max: double, diagonal_min: double, diagonal_max: double>
  child 0, side_min: double
  child 1, side_max: double
  child 2, diagonal_min: double
  child 3, diagonal_max: double
elements: struct<count: int64, atomic_numbers: list<item: int64>, symbols: list<item: string>, counts: struct< (... 72 chars omitted)
  child 0, count: int64
  child 1, atomic_numbers: list<item: int64>
      child 0, item: int64
  child 2, symbols: list<item: string>
      child 0, item: string
  child 3, counts: struct<1: int64, 6: int64, 7: int64, 8: int64, 9: int64, 16: int64, 17: int64>
      child 0, 1: int64
      child 1, 6: int64
      child 2, 7: int64
      child 3, 8: int64
      child 4, 9: int64
      child 5, 16: int64
      child 6, 17: int64
label_permeability: struct<min: double, max: double, mean: double>
  child 0, min: double
  child 1, max: double
  child 2, mean: double
label_energy: struct<min: double, max: double, mean: double>
  child 0, min: double
  child 1, max: double
  child 2, mean: double
to
{'n_total': Value('int64'), 'sample_size': Value('int64'), 'atoms_per_structure': {'min': Value('int64'), 'max': Value('int64'), 'mean': Value('float64')}, 'bounding_box_extent_angstrom': {'side_min': Value('float64'), 'side_max': Value('float64'), 'diagonal_min': Value('float64'), 'diagonal_max': Value('float64')}, 'elements': {'count': Value('int64'), 'atomic_numbers': List(Value('int64')), 'symbols': List(Value('string')), 'counts': {'1': Value('int64'), '6': Value('int64'), '7': Value('int64'), '8': Value('int64'), '9': Value('int64'), '16': Value('int64'), '17': Value('int64')}}, 'label_energy': {'min': Value('float64'), 'max': Value('float64'), 'mean': Value('float64')}}
because column names don't match
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/src/worker/utils.py", line 147, in get_rows_or_raise
                  return get_rows(
                      dataset=dataset,
                  ...<4 lines>...
                      column_names=column_names,
                  )
                File "/src/libs/libcommon/src/libcommon/utils.py", line 272, in decorator
                  return func(*args, **kwargs)
                File "/src/services/worker/src/worker/utils.py", line 127, in get_rows
                  rows_plus_one = list(itertools.islice(safe_iter(ds, dataset=dataset), rows_max_number + 1))
                File "/src/services/worker/src/worker/utils.py", line 483, in safe_iter
                  yield from ds.decode(False) if ds.features else ds
                File "/usr/local/lib/python3.14/site-packages/datasets/iterable_dataset.py", line 2840, in __iter__
                  for key, example in ex_iterable:
                                      ^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/iterable_dataset.py", line 2373, in __iter__
                  for key, pa_table in self._iter_arrow():
                                       ~~~~~~~~~~~~~~~~^^
                File "/usr/local/lib/python3.14/site-packages/datasets/iterable_dataset.py", line 2398, in _iter_arrow
                  for key, pa_table in self.ex_iterable._iter_arrow():
                                       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^^
                File "/usr/local/lib/python3.14/site-packages/datasets/iterable_dataset.py", line 536, in _iter_arrow
                  for key, pa_table in iterator:
                                       ^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/iterable_dataset.py", line 419, in _iter_arrow
                  for key, pa_table in self.generate_tables_fn(**gen_kwags):
                                       ~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 343, in _generate_tables
                  self._cast_table(pa_table, json_field_paths=json_field_paths),
                  ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/json/json.py", line 132, in _cast_table
                  pa_table = table_cast(pa_table, self.info.features.arrow_schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2378, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2306, in cast_table_to_schema
                  raise CastError(
                  ...<3 lines>...
                  )
              datasets.table.CastError: Couldn't cast
              n_total: int64
              sample_size: int64
              atoms_per_structure: struct<min: int64, max: int64, mean: double>
                child 0, min: int64
                child 1, max: int64
                child 2, mean: double
              bounding_box_extent_angstrom: struct<side_min: double, side_max: double, diagonal_min: double, diagonal_max: double>
                child 0, side_min: double
                child 1, side_max: double
                child 2, diagonal_min: double
                child 3, diagonal_max: double
              elements: struct<count: int64, atomic_numbers: list<item: int64>, symbols: list<item: string>, counts: struct< (... 72 chars omitted)
                child 0, count: int64
                child 1, atomic_numbers: list<item: int64>
                    child 0, item: int64
                child 2, symbols: list<item: string>
                    child 0, item: string
                child 3, counts: struct<1: int64, 6: int64, 7: int64, 8: int64, 9: int64, 16: int64, 17: int64>
                    child 0, 1: int64
                    child 1, 6: int64
                    child 2, 7: int64
                    child 3, 8: int64
                    child 4, 9: int64
                    child 5, 16: int64
                    child 6, 17: int64
              label_permeability: struct<min: double, max: double, mean: double>
                child 0, min: double
                child 1, max: double
                child 2, mean: double
              label_energy: struct<min: double, max: double, mean: double>
                child 0, min: double
                child 1, max: double
                child 2, mean: double
              to
              {'n_total': Value('int64'), 'sample_size': Value('int64'), 'atoms_per_structure': {'min': Value('int64'), 'max': Value('int64'), 'mean': Value('float64')}, 'bounding_box_extent_angstrom': {'side_min': Value('float64'), 'side_max': Value('float64'), 'diagonal_min': Value('float64'), 'diagonal_max': Value('float64')}, 'elements': {'count': Value('int64'), 'atomic_numbers': List(Value('int64')), 'symbols': List(Value('string')), 'counts': {'1': Value('int64'), '6': Value('int64'), '7': Value('int64'), '8': Value('int64'), '9': Value('int64'), '16': Value('int64'), '17': Value('int64')}}, 'label_energy': {'min': Value('float64'), 'max': Value('float64'), 'mean': Value('float64')}}
              because column names don't match