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Cannot load the dataset split (in streaming mode) to extract the first rows.
Error code: StreamingRowsError
Exception: CastError
Message: Couldn't cast
molecule_name: string
dft_energy_profile: list<item: double>
child 0, item: double
atom_symbols: list<item: string>
child 0, item: string
conformer_coordinates: list<item: list<item: list<item: double>>>
child 0, item: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
charge: double
carbon-carbon (triple): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-oxygen (single): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-oxygen (double): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_a
...
ring>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-carbon (single): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-fluorine (single): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
to
{'carbon-carbon (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-carbon (double)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-carbon (triple)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-oxygen (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-oxygen (double)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-nitrogen (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-nitrogen (triple)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-fluorine (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}}
because column names don't match
Traceback: Traceback (most recent call last):
File "/src/services/worker/src/worker/utils.py", line 99, in get_rows_or_raise
return get_rows(
^^^^^^^^^
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 77, in get_rows
rows_plus_one = list(itertools.islice(ds, rows_max_number + 1))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 2690, in __iter__
for key, example in ex_iterable:
^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 2227, in __iter__
for key, pa_table in self._iter_arrow():
^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 2251, in _iter_arrow
for key, pa_table in self.ex_iterable._iter_arrow():
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 494, in _iter_arrow
for key, pa_table in iterator:
^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/iterable_dataset.py", line 384, in _iter_arrow
for key, pa_table in self.generate_tables_fn(**gen_kwags):
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/packaged_modules/json/json.py", line 299, in _generate_tables
self._cast_table(pa_table, json_field_paths=json_field_paths),
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/packaged_modules/json/json.py", line 128, in _cast_table
pa_table = table_cast(pa_table, self.info.features.arrow_schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2321, in table_cast
return cast_table_to_schema(table, schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2249, in cast_table_to_schema
raise CastError(
datasets.table.CastError: Couldn't cast
molecule_name: string
dft_energy_profile: list<item: double>
child 0, item: double
atom_symbols: list<item: string>
child 0, item: string
conformer_coordinates: list<item: list<item: list<item: double>>>
child 0, item: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
charge: double
carbon-carbon (triple): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-oxygen (single): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-oxygen (double): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_a
...
ring>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-carbon (single): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
carbon-fluorine (single): struct<atom_symbols: list<item: string>, coordinates: list<item: list<item: double>>, pattern_atom_i (... 90 chars omitted)
child 0, atom_symbols: list<item: string>
child 0, item: string
child 1, coordinates: list<item: list<item: double>>
child 0, item: list<item: double>
child 0, item: double
child 2, pattern_atom_indices: list<item: int64>
child 0, item: int64
child 3, reference_bond_distance: double
child 4, charge: int64
child 5, smiles: string
to
{'carbon-carbon (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-carbon (double)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-carbon (triple)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-oxygen (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-oxygen (double)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-nitrogen (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-nitrogen (triple)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}, 'carbon-fluorine (single)': {'atom_symbols': List(Value('string')), 'coordinates': List(List(Value('float64'))), 'pattern_atom_indices': List(Value('int64')), 'reference_bond_distance': Value('float64'), 'charge': Value('int64'), 'smiles': Value('string')}}
because column names don't matchNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
Overview
This dataset contains the input data necessary to run benchmarks with the package mlipaudit.
Contributing
If adding a new data file for a new benchmark, you must follow the convention that the input datafile be a zip file that has the same name as your benchmark.
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