Datasets:

---

jiankunwu

/

DeepHartree-PBE-def2SVP-density-matrices

like 1

Error code:   StreamingRowsError
Exception:    CastError
Message:      Couldn't cast
dataset_id: string
filename: string
natm: int64
nao: int64
nelec: int64
energy: double
converged: bool
niter: int64
wall_time_sec: double
nelec_from_dm: double
electron_error: double
shard: string
out: string
max_shard_gb: double
verbose: int64
backend: string
basis: string
max_cycle: int64
cartesian: bool
conv_tol: double
auxbasis: null
spin: int64
h5_compression_level: int64
workers: int64
store_upper_triangle: bool
xc: string
grids_level: int64
h5_prefix: string
qm9_archive: string
created_at: timestamp[s]
charge: int64
cuda_visible_devices: null
dtype: string
h5_compression: string
to
{'qm9_archive': Value('string'), 'out': Value('string'), 'backend': Value('string'), 'workers': Value('int64'), 'basis': Value('string'), 'xc': Value('string'), 'auxbasis': Value('null'), 'grids_level': Value('int64'), 'conv_tol': Value('float64'), 'max_cycle': Value('int64'), 'charge': Value('int64'), 'spin': Value('int64'), 'dtype': Value('string'), 'cartesian': Value('bool'), 'verbose': Value('int64'), 'cuda_visible_devices': Value('null'), 'h5_prefix': Value('string'), 'max_shard_gb': Value('float64'), 'h5_compression': Value('string'), 'h5_compression_level': Value('int64'), 'store_upper_triangle': Value('bool'), 'created_at': Value('timestamp[s]')}
because column names don't match
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/src/worker/utils.py", line 149, 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 129, 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 489, 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 2818, in __iter__
                  for key, example in ex_iterable:
                                      ^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/iterable_dataset.py", line 2355, in __iter__
                  for key, pa_table in self._iter_arrow():
                                       ~~~~~~~~~~~~~~~~^^
                File "/usr/local/lib/python3.14/site-packages/datasets/iterable_dataset.py", line 2380, 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 2369, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2297, in cast_table_to_schema
                  raise CastError(
                  ...<3 lines>...
                  )
              datasets.table.CastError: Couldn't cast
              dataset_id: string
              filename: string
              natm: int64
              nao: int64
              nelec: int64
              energy: double
              converged: bool
              niter: int64
              wall_time_sec: double
              nelec_from_dm: double
              electron_error: double
              shard: string
              out: string
              max_shard_gb: double
              verbose: int64
              backend: string
              basis: string
              max_cycle: int64
              cartesian: bool
              conv_tol: double
              auxbasis: null
              spin: int64
              h5_compression_level: int64
              workers: int64
              store_upper_triangle: bool
              xc: string
              grids_level: int64
              h5_prefix: string
              qm9_archive: string
              created_at: timestamp[s]
              charge: int64
              cuda_visible_devices: null
              dtype: string
              h5_compression: string
              to
              {'qm9_archive': Value('string'), 'out': Value('string'), 'backend': Value('string'), 'workers': Value('int64'), 'basis': Value('string'), 'xc': Value('string'), 'auxbasis': Value('null'), 'grids_level': Value('int64'), 'conv_tol': Value('float64'), 'max_cycle': Value('int64'), 'charge': Value('int64'), 'spin': Value('int64'), 'dtype': Value('string'), 'cartesian': Value('bool'), 'verbose': Value('int64'), 'cuda_visible_devices': Value('null'), 'h5_prefix': Value('string'), 'max_shard_gb': Value('float64'), 'h5_compression': Value('string'), 'h5_compression_level': Value('int64'), 'store_upper_triangle': Value('bool'), 'created_at': Value('timestamp[s]')}
              because column names don't match