Datasets:

---

andreasburger

/

grand-generator

Like 0

Error code:   StreamingRowsError
Exception:    CastError
Message:      Couldn't cast
schema_version: int64
system: string
framework: string
framework_source: string
unit_cells: list<item: int64>
  child 0, item: int64
adsorbate: string
molecule_definition: string
forcefield: string
temperature_K: double
pressures_bar: list<item: double>
  child 0, item: double
box_lengths_A: list<item: double>
  child 0, item: double
coordinate_units: string
gcmc_engine: string
raspa_source_revision: string
raspa_install: string
collection: string
production_cycles: int64
initialization_cycles: int64
movie_every: int64
target_production_frames: int64
chains_per_pressure: int64
split_chain_ids: struct<train: list<item: int64>, val: list<item: int64>, test: list<item: int64>>
  child 0, train: list<item: int64>
      child 0, item: int64
  child 1, val: list<item: int64>
      child 0, item: int64
  child 2, test: list<item: int64>
      child 0, item: int64
total_frames: int64
splits: list<item: string>
  child 0, item: string
chains_requested: int64
archive: string
completed_state_points: int64
protocol: struct<schema_version: int64, system: string, framework: string, framework_source: string, unit_cell (... 540 chars omitted)
  child 0, schema_version: int64
  child 1, system: string
  child 2, framework: string
  child 3, framework_source: string
  child 4, unit_cells: list<item: int64>
      child 0, item: int64
  child 5, adsorbate: string
  child 6, molecule_definition: string
  child 7, forcefield: string
  child 8, temperature_K: double
  child 9, pressures_bar: list<item: double>
      child 0, item: double
  child 10, box_lengths_A: list<item: double>
      child 0, item: double
  child 11, coordinate_units: string
  child 12, gcmc_engine: string
  child 13, raspa_source_revision: string
  child 14, raspa_install: string
  child 15, collection: string
  child 16, production_cycles: int64
  child 17, initialization_cycles: int64
  child 18, movie_every: int64
  child 19, target_production_frames: int64
  child 20, chains_per_pressure: int64
  child 21, split_chain_ids: struct<train: list<item: int64>, val: list<item: int64>, test: list<item: int64>>
      child 0, train: list<item: int64>
          child 0, item: int64
      child 1, val: list<item: int64>
          child 0, item: int64
      child 2, test: list<item: int64>
          child 0, item: int64
frames_by_pressure_bar: struct<75: int64, 125: int64, 150: int64, 200: int64, 250: int64>
  child 0, 75: int64
  child 1, 125: int64
  child 2, 150: int64
  child 3, 200: int64
  child 4, 250: int64
positions_layout: string
chains_by_pressure_bar: struct<75: int64, 125: int64, 150: int64, 200: int64, 250: int64>
  child 0, 75: int64
  child 1, 125: int64
  child 2, 150: int64
  child 3, 200: int64
  child 4, 250: int64
to
{'schema_version': Value('int64'), 'protocol': {'schema_version': Value('int64'), 'system': Value('string'), 'framework': Value('string'), 'framework_source': Value('string'), 'unit_cells': List(Value('int64')), 'adsorbate': Value('string'), 'molecule_definition': Value('string'), 'forcefield': Value('string'), 'temperature_K': Value('float64'), 'pressures_bar': List(Value('float64')), 'box_lengths_A': List(Value('float64')), 'coordinate_units': Value('string'), 'gcmc_engine': Value('string'), 'raspa_source_revision': Value('string'), 'raspa_install': Value('string'), 'collection': Value('string'), 'production_cycles': Value('int64'), 'initialization_cycles': Value('int64'), 'movie_every': Value('int64'), 'target_production_frames': Value('int64'), 'chains_per_pressure': Value('int64'), 'split_chain_ids': {'train': List(Value('int64')), 'val': List(Value('int64')), 'test': List(Value('int64'))}}, 'splits': List(Value('string')), 'chains_requested': Value('int64'), 'completed_state_points': Value('int64'), 'total_frames': Value('int64'), 'frames_by_pressure_bar': {'75': Value('int64'), '125': Value('int64'), '150': Value('int64'), '200': Value('int64'), '250': Value('int64')}, 'chains_by_pressure_bar': {'75': Value('int64'), '125': Value('int64'), '150': Value('int64'), '200': Value('int64'), '250': Value('int64')}, 'archive': Value('string'), 'positions_layout': Value('string')}
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
              schema_version: int64
              system: string
              framework: string
              framework_source: string
              unit_cells: list<item: int64>
                child 0, item: int64
              adsorbate: string
              molecule_definition: string
              forcefield: string
              temperature_K: double
              pressures_bar: list<item: double>
                child 0, item: double
              box_lengths_A: list<item: double>
                child 0, item: double
              coordinate_units: string
              gcmc_engine: string
              raspa_source_revision: string
              raspa_install: string
              collection: string
              production_cycles: int64
              initialization_cycles: int64
              movie_every: int64
              target_production_frames: int64
              chains_per_pressure: int64
              split_chain_ids: struct<train: list<item: int64>, val: list<item: int64>, test: list<item: int64>>
                child 0, train: list<item: int64>
                    child 0, item: int64
                child 1, val: list<item: int64>
                    child 0, item: int64
                child 2, test: list<item: int64>
                    child 0, item: int64
              total_frames: int64
              splits: list<item: string>
                child 0, item: string
              chains_requested: int64
              archive: string
              completed_state_points: int64
              protocol: struct<schema_version: int64, system: string, framework: string, framework_source: string, unit_cell (... 540 chars omitted)
                child 0, schema_version: int64
                child 1, system: string
                child 2, framework: string
                child 3, framework_source: string
                child 4, unit_cells: list<item: int64>
                    child 0, item: int64
                child 5, adsorbate: string
                child 6, molecule_definition: string
                child 7, forcefield: string
                child 8, temperature_K: double
                child 9, pressures_bar: list<item: double>
                    child 0, item: double
                child 10, box_lengths_A: list<item: double>
                    child 0, item: double
                child 11, coordinate_units: string
                child 12, gcmc_engine: string
                child 13, raspa_source_revision: string
                child 14, raspa_install: string
                child 15, collection: string
                child 16, production_cycles: int64
                child 17, initialization_cycles: int64
                child 18, movie_every: int64
                child 19, target_production_frames: int64
                child 20, chains_per_pressure: int64
                child 21, split_chain_ids: struct<train: list<item: int64>, val: list<item: int64>, test: list<item: int64>>
                    child 0, train: list<item: int64>
                        child 0, item: int64
                    child 1, val: list<item: int64>
                        child 0, item: int64
                    child 2, test: list<item: int64>
                        child 0, item: int64
              frames_by_pressure_bar: struct<75: int64, 125: int64, 150: int64, 200: int64, 250: int64>
                child 0, 75: int64
                child 1, 125: int64
                child 2, 150: int64
                child 3, 200: int64
                child 4, 250: int64
              positions_layout: string
              chains_by_pressure_bar: struct<75: int64, 125: int64, 150: int64, 200: int64, 250: int64>
                child 0, 75: int64
                child 1, 125: int64
                child 2, 150: int64
                child 3, 200: int64
                child 4, 250: int64
              to
              {'schema_version': Value('int64'), 'protocol': {'schema_version': Value('int64'), 'system': Value('string'), 'framework': Value('string'), 'framework_source': Value('string'), 'unit_cells': List(Value('int64')), 'adsorbate': Value('string'), 'molecule_definition': Value('string'), 'forcefield': Value('string'), 'temperature_K': Value('float64'), 'pressures_bar': List(Value('float64')), 'box_lengths_A': List(Value('float64')), 'coordinate_units': Value('string'), 'gcmc_engine': Value('string'), 'raspa_source_revision': Value('string'), 'raspa_install': Value('string'), 'collection': Value('string'), 'production_cycles': Value('int64'), 'initialization_cycles': Value('int64'), 'movie_every': Value('int64'), 'target_production_frames': Value('int64'), 'chains_per_pressure': Value('int64'), 'split_chain_ids': {'train': List(Value('int64')), 'val': List(Value('int64')), 'test': List(Value('int64'))}}, 'splits': List(Value('string')), 'chains_requested': Value('int64'), 'completed_state_points': Value('int64'), 'total_frames': Value('int64'), 'frames_by_pressure_bar': {'75': Value('int64'), '125': Value('int64'), '150': Value('int64'), '200': Value('int64'), '250': Value('int64')}, 'chains_by_pressure_bar': {'75': Value('int64'), '125': Value('int64'), '150': Value('int64'), '200': Value('int64'), '250': Value('int64')}, 'archive': Value('string'), 'positions_layout': Value('string')}
              because column names don't match