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Datasets:
aashay96
/
scientific-posttrain-dreams-eval

Tags:
mass-spectrometry
molecule-retrieval
post-training
evaluation
License:
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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
target_id: string
candidate_smiles: list<item: string>
  child 0, item: string
target_index: int64
bundle_version: string
files: struct<candidates_sha256: string, spectra_sha256: string>
  child 0, candidates_sha256: string
  child 1, spectra_sha256: string
source: struct<candidates_sha256: string, dataset: string, revision: string, tsv_sha256: string>
  child 0, candidates_sha256: string
  child 1, dataset: string
  child 2, revision: string
  child 3, tsv_sha256: string
selection: struct<adduct: string, candidates_per_target: int64, fold: string, order: string, queries_per_target (... 24 chars omitted)
  child 0, adduct: string
  child 1, candidates_per_target: int64
  child 2, fold: string
  child 3, order: string
  child 4, queries_per_target: int64
  child 5, targets: int64
to
{'bundle_version': Value('string'), 'files': {'candidates_sha256': Value('string'), 'spectra_sha256': Value('string')}, 'selection': {'adduct': Value('string'), 'candidates_per_target': Value('int64'), 'fold': Value('string'), 'order': Value('string'), 'queries_per_target': Value('int64'), 'targets': Value('int64')}, 'source': {'candidates_sha256': Value('string'), 'dataset': Value('string'), 'revision': Value('string'), 'tsv_sha256': 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
              target_id: string
              candidate_smiles: list<item: string>
                child 0, item: string
              target_index: int64
              bundle_version: string
              files: struct<candidates_sha256: string, spectra_sha256: string>
                child 0, candidates_sha256: string
                child 1, spectra_sha256: string
              source: struct<candidates_sha256: string, dataset: string, revision: string, tsv_sha256: string>
                child 0, candidates_sha256: string
                child 1, dataset: string
                child 2, revision: string
                child 3, tsv_sha256: string
              selection: struct<adduct: string, candidates_per_target: int64, fold: string, order: string, queries_per_target (... 24 chars omitted)
                child 0, adduct: string
                child 1, candidates_per_target: int64
                child 2, fold: string
                child 3, order: string
                child 4, queries_per_target: int64
                child 5, targets: int64
              to
              {'bundle_version': Value('string'), 'files': {'candidates_sha256': Value('string'), 'spectra_sha256': Value('string')}, 'selection': {'adduct': Value('string'), 'candidates_per_target': Value('int64'), 'fold': Value('string'), 'order': Value('string'), 'queries_per_target': Value('int64'), 'targets': Value('int64')}, 'source': {'candidates_sha256': Value('string'), 'dataset': Value('string'), 'revision': Value('string'), 'tsv_sha256': Value('string')}}
              because column names don't match

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Scientific Post-Training DReaMS Evaluation v1

This repository contains the immutable public evaluation bundle used by the dreams-retrieval Harbor task in ScientificPostTrainBench. It is evaluation data, not agent training data.

Files

  • public_spectra.hdf5: three positive-mode [M+H]+ MS/MS queries for each of 128 target molecules.
  • public_candidates.jsonl.gz: 256 same-formula candidates and target position for each molecule.
  • manifest.json: upstream revision, source hashes, deterministic selection, and release-file hashes.

The bundle is deterministically derived from the MassSpecGym 1.5 test fold at commit c9aa3feb5f6ec0adee56cc78d2dce24826356156. The source files and this derived bundle are MIT-licensed. The builder is retained in ScientificPostTrainBench/authoring/dreams.

Agents may query the bundle only through the task's /app/evaluate.py and read aggregate metrics. Opening rows, extracting candidate targets, or fitting to this bundle invalidates the benchmark trajectory.
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