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Ian-L
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syntheseus-runtime

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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
children: list<item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children (... 2982 chars omitted)
  child 0, item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item (... 2970 chars omitted)
      child 0, children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children (... 2820 chars omitted)
          child 0, item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children: list<item (... 2808 chars omitted)
              child 0, in_stock: bool
              child 1, smiles: string
              child 2, type: string
              child 3, children: list<item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children (... 2744 chars omitted)
                  child 0, item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item (... 2732 chars omitted)
                      child 0, children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children (... 2582 chars omitted)
                          child 0, item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children: list<item (... 2570 chars omitted)
                              child 0, in_stock: bool
                              child 1, smiles: string
                              child 2, type: st
...
         child 2, smiles: string
                      child 3, type: string
      child 1, metadata: struct<ID: string, RingBreaker: bool, reaction_hash: string, rsmi: string, smiles: string>
          child 0, ID: string
          child 1, RingBreaker: bool
          child 2, reaction_hash: string
          child 3, rsmi: string
          child 4, smiles: string
      child 2, smiles: string
      child 3, type: string
in_stock: bool
smiles: string
type: string
route_length_steps_max: int64
format: string
built_at: timestamp[s]
reference_route_root_keys: list<item: string>
  child 0, item: string
notes: list<item: string>
  child 0, item: string
targets_input_format: string
route_length_steps_min: int64
source_files: struct<reference_routes_pickle: struct<path: string, zip_member: string>, stock_csv: struct<path: st (... 84 chars omitted)
  child 0, reference_routes_pickle: struct<path: string, zip_member: string>
      child 0, path: string
      child 1, zip_member: string
  child 1, stock_csv: struct<path: string, zip_member: string>
      child 0, path: string
      child 1, zip_member: string
  child 2, targets_pickle: struct<path: string, zip_member: string>
      child 0, path: string
      child 1, zip_member: string
num_stock: int64
num_reference_routes: int64
targets_path: string
stock_path: string
reaction_node_metadata_keys: list<item: string>
  child 0, item: string
num_targets: int64
stock_input_format: string
dataset_id: string
route_length_steps_mean: double
to
{'built_at': Value('timestamp[s]'), 'dataset_id': Value('string'), 'format': Value('string'), 'notes': List(Value('string')), 'num_reference_routes': Value('int64'), 'num_stock': Value('int64'), 'num_targets': Value('int64'), 'reaction_node_metadata_keys': List(Value('string')), 'reference_route_root_keys': List(Value('string')), 'route_length_steps_max': Value('int64'), 'route_length_steps_mean': Value('float64'), 'route_length_steps_min': Value('int64'), 'source_files': {'reference_routes_pickle': {'path': Value('string'), 'zip_member': Value('string')}, 'stock_csv': {'path': Value('string'), 'zip_member': Value('string')}, 'targets_pickle': {'path': Value('string'), 'zip_member': Value('string')}}, 'stock_input_format': Value('string'), 'stock_path': Value('string'), 'targets_input_format': Value('string'), 'targets_path': 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 478, 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
              children: list<item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children (... 2982 chars omitted)
                child 0, item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item (... 2970 chars omitted)
                    child 0, children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children (... 2820 chars omitted)
                        child 0, item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children: list<item (... 2808 chars omitted)
                            child 0, in_stock: bool
                            child 1, smiles: string
                            child 2, type: string
                            child 3, children: list<item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children (... 2744 chars omitted)
                                child 0, item: struct<children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item (... 2732 chars omitted)
                                    child 0, children: list<item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children (... 2582 chars omitted)
                                        child 0, item: struct<in_stock: bool, smiles: string, type: string, children: list<item: struct<children: list<item (... 2570 chars omitted)
                                            child 0, in_stock: bool
                                            child 1, smiles: string
                                            child 2, type: st
              ...
                       child 2, smiles: string
                                    child 3, type: string
                    child 1, metadata: struct<ID: string, RingBreaker: bool, reaction_hash: string, rsmi: string, smiles: string>
                        child 0, ID: string
                        child 1, RingBreaker: bool
                        child 2, reaction_hash: string
                        child 3, rsmi: string
                        child 4, smiles: string
                    child 2, smiles: string
                    child 3, type: string
              in_stock: bool
              smiles: string
              type: string
              route_length_steps_max: int64
              format: string
              built_at: timestamp[s]
              reference_route_root_keys: list<item: string>
                child 0, item: string
              notes: list<item: string>
                child 0, item: string
              targets_input_format: string
              route_length_steps_min: int64
              source_files: struct<reference_routes_pickle: struct<path: string, zip_member: string>, stock_csv: struct<path: st (... 84 chars omitted)
                child 0, reference_routes_pickle: struct<path: string, zip_member: string>
                    child 0, path: string
                    child 1, zip_member: string
                child 1, stock_csv: struct<path: string, zip_member: string>
                    child 0, path: string
                    child 1, zip_member: string
                child 2, targets_pickle: struct<path: string, zip_member: string>
                    child 0, path: string
                    child 1, zip_member: string
              num_stock: int64
              num_reference_routes: int64
              targets_path: string
              stock_path: string
              reaction_node_metadata_keys: list<item: string>
                child 0, item: string
              num_targets: int64
              stock_input_format: string
              dataset_id: string
              route_length_steps_mean: double
              to
              {'built_at': Value('timestamp[s]'), 'dataset_id': Value('string'), 'format': Value('string'), 'notes': List(Value('string')), 'num_reference_routes': Value('int64'), 'num_stock': Value('int64'), 'num_targets': Value('int64'), 'reaction_node_metadata_keys': List(Value('string')), 'reference_route_root_keys': List(Value('string')), 'route_length_steps_max': Value('int64'), 'route_length_steps_mean': Value('float64'), 'route_length_steps_min': Value('int64'), 'source_files': {'reference_routes_pickle': {'path': Value('string'), 'zip_member': Value('string')}, 'stock_csv': {'path': Value('string'), 'zip_member': Value('string')}, 'targets_pickle': {'path': Value('string'), 'zip_member': Value('string')}}, 'stock_input_format': Value('string'), 'stock_path': Value('string'), 'targets_input_format': Value('string'), 'targets_path': Value('string')}
              because column names don't match

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Syntheseus runtime bundles and route-data artifacts

This dataset repository mirrors the published Syntheseus generated runtime tree directly.

Upload these generated paths to the repo root

checkpoints (62633546564 bytes, 615 files)
paroutes2 (2554916434 bytes, 18 files)
pdvn_uspto (5227472750 bytes, 18 files)

Model families

aizynthfinder
askcos_retro_augmented_transformer
askcos_retro_graph2smiles
askcos_retro_template_relevance
chemformer
reactiont5v2
rsgpt
retrochimera_template
retrochimera_transformer
retrochimera_hybrid
reactiont5v2_forward
chemformer_forward
molecular_transformer_forward

Licensing note

Most bundle metadata is published under the dataset-card license. Individual upstream model artifacts may carry stricter terms recorded in their package manifest.json and provenance.json; notably ASKCOS Reaxys-derived model archives are marked CC-BY-NC-4.0/non-commercial where applicable.

Client install

After publication, replace the placeholder repo_id inside generated/release_manifest.client.json and copy that file to syntheseus_wrappers/release_manifest.json.

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