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The dataset generation failed
Error code: DatasetGenerationError
Exception: TypeError
Message: Couldn't cast array of type string to null
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1779, in _prepare_split_single
for key, table in generator:
^^^^^^^^^
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 2255, in cast_table_to_schema
cast_array_to_feature(
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 1804, in wrapper
return pa.chunked_array([func(chunk, *args, **kwargs) for chunk in array.chunks])
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2011, in cast_array_to_feature
_c(array.field(name) if name in array_fields else null_array, subfeature)
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 1806, in wrapper
return func(array, *args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2095, in cast_array_to_feature
return array_cast(
^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 1806, in wrapper
return func(array, *args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 1957, in array_cast
raise TypeError(f"Couldn't cast array of type {_short_str(array.type)} to {_short_str(pa_type)}")
TypeError: Couldn't cast array of type string to null
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1348, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 980, in convert_to_parquet
builder.download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 882, in download_and_prepare
self._download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 943, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1646, in _prepare_split
for job_id, done, content in self._prepare_split_single(
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1832, in _prepare_split_single
raise DatasetGenerationError("An error occurred while generating the dataset") from e
datasets.exceptions.DatasetGenerationError: An error occurred while generating the datasetNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
question string | answer string | metadata dict |
|---|---|---|
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | -4.01 | {
"sample_id": "train|531|LC50|continuous|58921>59653",
"pair_id": "train|531|LC50|continuous|58921>59653",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "531|LC50|continuous",
"assay_id": 531,
"tid": 80622,
"candidate_source_assay_id": null,
"standard_type": "LC50",
"assay_type": "F",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 48.00 | {
"sample_id": "train|628|Efficacy|continuous|130087>130144",
"pair_id": "train|628|Efficacy|continuous|130087>130144",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "628|Efficacy|continuous",
"assay_id": 628,
"tid": 51,
"candidate_source_assay_id": null,
"standard_type": "Efficacy",
"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 3.54 | {
"sample_id": "train|415|IC50|continuous|199930>551949",
"pair_id": "train|415|IC50|continuous|199930>551949",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "415|IC50|continuous",
"assay_id": 415,
"tid": 80620,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_type": ... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.48 | {
"sample_id": "train|28|IC50|continuous|53202>53082",
"pair_id": "train|28|IC50|continuous|53202>53082",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "28|IC50|continuous",
"assay_id": 28,
"tid": 12426,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_type": "B",
"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.70 | {
"sample_id": "train|775|IC50|continuous|55097>54455",
"pair_id": "train|775|IC50|continuous|55097>54455",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "775|IC50|continuous",
"assay_id": 775,
"tid": 104744,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_type": "B"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.92 | {
"sample_id": "train|590|Ki|continuous|152134>32833",
"pair_id": "train|590|Ki|continuous|152134>32833",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "590|Ki|continuous",
"assay_id": 590,
"tid": 51,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
"label... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 0.00 | {
"sample_id": "train|656|Emax|continuous|172307>172197",
"pair_id": "train|656|Emax|continuous|172307>172197",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "656|Emax|continuous",
"assay_id": 656,
"tid": 51,
"candidate_source_assay_id": null,
"standard_type": "Emax",
"assay_type": "F"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 4.46 | {
"sample_id": "train|476|ED50|continuous|101918>101930",
"pair_id": "train|476|ED50|continuous|101918>101930",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "476|ED50|continuous",
"assay_id": 476,
"tid": 80951,
"candidate_source_assay_id": null,
"standard_type": "ED50",
"assay_type": ... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.55 | {
"sample_id": "train|582|Ki|continuous|14322>14278",
"pair_id": "train|582|Ki|continuous|14322>14278",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "582|Ki|continuous",
"assay_id": 582,
"tid": 51,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
"label_t... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7166.00 | {
"sample_id": "train|493|2DG uptake|continuous|238913>238887",
"pair_id": "train|493|2DG uptake|continuous|238913>238887",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "493|2DG uptake|continuous",
"assay_id": 493,
"tid": 80006,
"candidate_source_assay_id": null,
"standard_type": "2DG u... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 4.92 | {
"sample_id": "train|168|IC50|continuous|13153>14668",
"pair_id": "train|168|IC50|continuous|13153>14668",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "168|IC50|continuous",
"assay_id": 168,
"tid": 12166,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_type": "B",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | -4.01 | {
"sample_id": "train|532|TGI|continuous|58922>59653",
"pair_id": "train|532|TGI|continuous|58922>59653",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "532|TGI|continuous",
"assay_id": 532,
"tid": 80622,
"candidate_source_assay_id": null,
"standard_type": "TGI",
"assay_type": "F",
"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.44 | {
"sample_id": "train|867|IC50|continuous|219926>219106",
"pair_id": "train|867|IC50|continuous|219926>219106",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "867|IC50|continuous",
"assay_id": 867,
"tid": 10576,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_type": ... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.00 | {
"sample_id": "train|26|IC50|continuous|128552>129340",
"pair_id": "train|26|IC50|continuous|128552>129340",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "26|IC50|continuous",
"assay_id": 26,
"tid": 12054,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_type": "B",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 5.78 | {
"sample_id": "train|1622|EC50|continuous|115301>115213",
"pair_id": "train|1622|EC50|continuous|115301>115213",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1622|EC50|continuous",
"assay_id": 1622,
"tid": 105,
"candidate_source_assay_id": null,
"standard_type": "EC50",
"assay_type"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.48 | {
"sample_id": "train|1708|Ki|continuous|155901>154831",
"pair_id": "train|1708|Ki|continuous|155901>154831",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1708|Ki|continuous",
"assay_id": 1708,
"tid": 105,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.60 | {
"sample_id": "train|1515|Ki|continuous|112838>111931",
"pair_id": "train|1515|Ki|continuous|112838>111931",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1515|Ki|continuous",
"assay_id": 1515,
"tid": 10576,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 18.69 | {
"sample_id": "train|1090|Basal|continuous|219926>1384947",
"pair_id": "train|1090|Basal|continuous|219926>1384947",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1090|Basal|continuous",
"assay_id": 1090,
"tid": 10576,
"candidate_source_assay_id": null,
"standard_type": "Basal",
"ass... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.54 | {
"sample_id": "train|1122|Ki|continuous|164057>164158",
"pair_id": "train|1122|Ki|continuous|164057>164158",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1122|Ki|continuous",
"assay_id": 1122,
"tid": 10576,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.90 | {
"sample_id": "train|1383|Ki|continuous|25409>26294",
"pair_id": "train|1383|Ki|continuous|25409>26294",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1383|Ki|continuous",
"assay_id": 1383,
"tid": 106,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
"la... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.90 | {
"sample_id": "train|1138|Ki|continuous|176041>4149",
"pair_id": "train|1138|Ki|continuous|176041>4149",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1138|Ki|continuous",
"assay_id": 1138,
"tid": 10576,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.38 | {
"sample_id": "train|1450|Ki|continuous|151136>36065",
"pair_id": "train|1450|Ki|continuous|151136>36065",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1450|Ki|continuous",
"assay_id": 1450,
"tid": 10576,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.54 | {
"sample_id": "train|2342|Ki|continuous|1122382>1122361",
"pair_id": "train|2342|Ki|continuous|1122382>1122361",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2342|Ki|continuous",
"assay_id": 2342,
"tid": 104686,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type":... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.98 | {
"sample_id": "train|2189|Ki|continuous|10734>111439",
"pair_id": "train|2189|Ki|continuous|10734>111439",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2189|Ki|continuous",
"assay_id": 2189,
"tid": 104686,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 94.80 | {
"sample_id": "train|1945|Inhibition|continuous|211074>210583",
"pair_id": "train|1945|Inhibition|continuous|211074>210583",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1945|Inhibition|continuous",
"assay_id": 1945,
"tid": 104686,
"candidate_source_assay_id": null,
"standard_type": "... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 9.21 | {
"sample_id": "train|2347|Ki|continuous|292968>294844",
"pair_id": "train|2347|Ki|continuous|292968>294844",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2347|Ki|continuous",
"assay_id": 2347,
"tid": 104686,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.48 | {
"sample_id": "train|2586|IC50|continuous|164246>251507",
"pair_id": "train|2586|IC50|continuous|164246>251507",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2586|IC50|continuous",
"assay_id": 2586,
"tid": 12687,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_typ... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 97.00 | {
"sample_id": "train|2572|Efficacy|continuous|220767>36132",
"pair_id": "train|2572|Efficacy|continuous|220767>36132",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2572|Efficacy|continuous",
"assay_id": 2572,
"tid": 12687,
"candidate_source_assay_id": null,
"standard_type": "Efficacy"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 8.45 | {
"sample_id": "train|2558|Ki|continuous|676842>153105",
"pair_id": "train|2558|Ki|continuous|676842>153105",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2558|Ki|continuous",
"assay_id": 2558,
"tid": 12687,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.18 | {
"sample_id": "train|2334|Ki|continuous|246695>27031",
"pair_id": "train|2334|Ki|continuous|246695>27031",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2334|Ki|continuous",
"assay_id": 2334,
"tid": 104686,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.00 | {
"sample_id": "train|1800|Ki|continuous|20819>6182",
"pair_id": "train|1800|Ki|continuous|20819>6182",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1800|Ki|continuous",
"assay_id": 1800,
"tid": 10577,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
"la... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.21 | {
"sample_id": "train|1848|Ki|continuous|21325>4149",
"pair_id": "train|1848|Ki|continuous|21325>4149",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "1848|Ki|continuous",
"assay_id": 1848,
"tid": 108,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",
"labe... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 7.03 | {
"sample_id": "train|2214|Ki|continuous|170275>170360",
"pair_id": "train|2214|Ki|continuous|170275>170360",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2214|Ki|continuous",
"assay_id": 2214,
"tid": 104784,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B"... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 6.31 | {
"sample_id": "train|2590|IC50|continuous|201073>150528",
"pair_id": "train|2590|IC50|continuous|201073>150528",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2590|IC50|continuous",
"assay_id": 2590,
"tid": 12687,
"candidate_source_assay_id": null,
"standard_type": "IC50",
"assay_typ... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 9.64 | {
"sample_id": "train|2611|Ki|continuous|246874>164236",
"pair_id": "train|2611|Ki|continuous|246874>164236",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2611|Ki|continuous",
"assay_id": 2611,
"tid": 12687,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "F",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 0.01 | {
"sample_id": "train|3186|ID50|continuous|164277>91524",
"pair_id": "train|3186|ID50|continuous|164277>91524",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "3186|ID50|continuous",
"assay_id": 3186,
"tid": 104698,
"candidate_source_assay_id": null,
"standard_type": "ID50",
"assay_type... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 8.68 | {
"sample_id": "train|2783|Ki|continuous|676842>152829",
"pair_id": "train|2783|Ki|continuous|676842>152829",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2783|Ki|continuous",
"assay_id": 2783,
"tid": 12689,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",... |
You are given a reference molecule with all of its properties including ChEMBL assay evidence, and a query molecule with only structure-derived properties. Predict the query molecule's result for some assay or target endpoint. Use the endpoint definition, the reference molecule's properties, the query molecule's proper... | 8.68 | {
"sample_id": "train|2783|Ki|continuous|676842>153382",
"pair_id": "train|2783|Ki|continuous|676842>153382",
"split": "train",
"endpoint_scope": "assay",
"endpoint_id": "2783|Ki|continuous",
"assay_id": 2783,
"tid": 12689,
"candidate_source_assay_id": null,
"standard_type": "Ki",
"assay_type": "B",... |
End of preview.
Assay Transfer Mini No Alerts
HF-format assay-transfer mini dataset built from sampled endpoint pair splits.
This is the non-CoT prompt version with structural-alert feature text excluded.
This revision was rebuilt with the openrlhf conda environment and live MolGpKa pKa computation, bypassing the stale v17 ionization string cache.
Rows contain:
question: prompt rendered fromassay_transfer/templates/llm_endpoint_prediction_template.mdanswer: bare endpoint label for the query molecule, with noAnswer:prefixmetadata: pair, endpoint, assay, molecule, similarity, unit, and label metadata
The molecule property blocks were generated with therapeutic_tools.tools.v17_get_features_only, using only:
molecular_profileionization_and_solubilitystructure_and_topology
The alert_screening group is intentionally omitted.
Included files:
train_continuous.jsonl.gz: 90,909 rowstrain_binary.jsonl.gz: 9,091 rowsvalidation_continuous.jsonl.gz: 10,000 rowsvalidation_binary.jsonl.gz: 1,000 rowsvalidation_endpoint_distribution_stats.json: per-validation-endpoint label distribution statistics over unique sampled validation moleculesvalidation_endpoint_distribution_stats.csv: CSV copy of the same endpoint statisticsendpoint_majority_mean_baselines.json: per-endpoint mean/majority baselines computed over unique molecules used in each splitendpoint_majority_mean_baselines.csv: CSV copy of the same baseline table
Continuous answers are bare numeric strings. Potency endpoints with pchembl_value or standard_value_p_transform are rendered as pChEMBL targets. Raw continuous endpoints, such as pharmacokinetic AUC, are rendered in their source measurement units. Binary answers are MCQA choices: A for the positive class and B for the negative class.
The baseline files use a constant predictor within each split/endpoint: the mean label for continuous endpoints and the majority clean label for binary endpoints. Continuous baseline summaries are broken out for pChEMBL-like targets and raw-unit targets because raw measurement units are heterogeneous. They also report normalized absolute-error rates within 0.5, 1, and 2 endpoint standard deviations, plus binary accuracy and F1.
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