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DanielShunom
/

ubiquitin-l1-hydrolase-bioactivity

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The dataset generation failed because of a cast error

Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 7 new columns ({'molecule_chembl_id', 'NumHDonors', 'NumHAcceptors', 'canonical_smiles', 'MW', 'bioactivity_class', 'LogP'}) and 881 missing columns ({'PubchemFP191', 'PubchemFP241', 'PubchemFP341', 'PubchemFP356', 'PubchemFP113', 'PubchemFP690', 'PubchemFP305', 'PubchemFP418', 'PubchemFP472', 'PubchemFP275', 'PubchemFP518', 'PubchemFP18', 'PubchemFP74', 'PubchemFP551', 'PubchemFP541', 'PubchemFP568', 'PubchemFP378', 'PubchemFP334', 'PubchemFP590', 'PubchemFP742', 'PubchemFP419', 'PubchemFP167', 'PubchemFP145', 'PubchemFP537', 'PubchemFP781', 'PubchemFP493', 'PubchemFP138', 'PubchemFP556', 'PubchemFP112', 'PubchemFP593', 'PubchemFP318', 'PubchemFP304', 'PubchemFP282', 'PubchemFP409', 'PubchemFP802', 'PubchemFP80', 'PubchemFP675', 'PubchemFP454', 'PubchemFP480', 'PubchemFP310', 'PubchemFP476', 'PubchemFP386', 'PubchemFP11', 'PubchemFP343', 'PubchemFP93', 'PubchemFP863', 'PubchemFP865', 'PubchemFP166', 'PubchemFP129', 'PubchemFP817', 'PubchemFP326', 'PubchemFP149', 'PubchemFP733', 'PubchemFP706', 'PubchemFP586', 'PubchemFP792', 'PubchemFP223', 'PubchemFP370', 'PubchemFP604', 'PubchemFP391', 'PubchemFP281', 'PubchemFP815', 'PubchemFP81', 'PubchemFP165', 'PubchemFP415', 'PubchemFP95', 'PubchemFP203', 'PubchemFP211', 'PubchemFP277', 'PubchemFP861', 'PubchemFP805', 'PubchemFP243', 'PubchemFP132', 'PubchemFP363', 'PubchemFP547', 'PubchemFP76', 'PubchemFP543', 'PubchemFP524', 'PubchemFP3', 'PubchemFP103', 'PubchemFP844', 'PubchemFP33', 'PubchemFP855', 'PubchemFP673', 'PubchemFP306', 'PubchemFP176', 'PubchemFP743', 'PubchemFP5', 'PubchemFP745', 'PubchemFP158', 'PubchemFP316', 'PubchemFP484', 'PubchemFP499', 'PubchemFP498', 'Pubchem
...
chemFP622', 'PubchemFP184', 'PubchemFP853', 'PubchemFP250', 'PubchemFP331', 'PubchemFP171', 'PubchemFP375', 'PubchemFP396', 'PubchemFP747', 'PubchemFP522', 'PubchemFP487', 'PubchemFP714', 'PubchemFP350', 'PubchemFP583', 'PubchemFP558', 'PubchemFP574', 'PubchemFP385', 'PubchemFP687', 'PubchemFP572', 'PubchemFP533', 'PubchemFP233', 'PubchemFP60', 'PubchemFP420', 'PubchemFP649', 'PubchemFP359', 'PubchemFP616', 'PubchemFP548', 'PubchemFP397', 'PubchemFP528', 'PubchemFP647', 'PubchemFP740', 'PubchemFP570', 'PubchemFP674', 'PubchemFP232', 'PubchemFP59', 'PubchemFP254', 'PubchemFP753', 'PubchemFP90', 'PubchemFP878', 'PubchemFP49', 'PubchemFP57', 'PubchemFP66', 'PubchemFP352', 'PubchemFP437', 'PubchemFP588', 'PubchemFP342', 'PubchemFP795', 'PubchemFP0', 'PubchemFP613', 'PubchemFP287', 'PubchemFP295', 'PubchemFP377', 'PubchemFP660', 'PubchemFP188', 'PubchemFP851', 'PubchemFP852', 'PubchemFP58', 'PubchemFP860', 'PubchemFP535', 'PubchemFP381', 'PubchemFP637', 'PubchemFP725', 'PubchemFP786', 'PubchemFP520', 'PubchemFP442', 'PubchemFP4', 'PubchemFP459', 'PubchemFP596', 'PubchemFP351', 'PubchemFP193', 'PubchemFP552', 'PubchemFP44', 'PubchemFP727', 'PubchemFP179', 'PubchemFP843', 'PubchemFP592', 'PubchemFP809', 'PubchemFP189', 'PubchemFP641', 'PubchemFP741', 'PubchemFP658', 'PubchemFP99', 'PubchemFP629', 'PubchemFP808', 'PubchemFP666', 'PubchemFP290', 'PubchemFP671', 'PubchemFP87', 'PubchemFP45', 'PubchemFP160', 'PubchemFP234', 'PubchemFP763', 'PubchemFP471', 'PubchemFP446', 'PubchemFP286'}).

This happened while the csv dataset builder was generating data using

hf://datasets/DanielShunom/ubiquitin-l1-hydrolase-bioactivity/UBQTN_processed_allBioactivity.csv (at revision f960ca47b2a3d802c43851725f73d8c0b81b945e)

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1870, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 622, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2292, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2240, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              molecule_chembl_id: string
              canonical_smiles: string
              bioactivity_class: string
              MW: double
              LogP: double
              NumHDonors: double
              NumHAcceptors: double
              pIC50: double
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1238
              to
              {'PubchemFP0': Value(dtype='int64', id=None), 'PubchemFP1': Value(dtype='int64', id=None), 'PubchemFP2': Value(dtype='int64', id=None), 'PubchemFP3': Value(dtype='int64', id=None), 'PubchemFP4': Value(dtype='int64', id=None), 'PubchemFP5': Value(dtype='int64', id=None), 'PubchemFP6': Value(dtype='int64', id=None), 'PubchemFP7': Value(dtype='int64', id=None), 'PubchemFP8': Value(dtype='int64', id=None), 'PubchemFP9': Value(dtype='int64', id=None), 'PubchemFP10': Value(dtype='int64', id=None), 'PubchemFP11': Value(dtype='int64', id=None), 'PubchemFP12': Value(dtype='int64', id=None), 'PubchemFP13': Value(dtype='int64', id=None), 'PubchemFP14': Value(dtype='int64', id=None), 'PubchemFP15': Value(dtype='int64', id=None), 'PubchemFP16': Value(dtype='int64', id=None), 'PubchemFP17': Value(dtype='int64', id=None), 'PubchemFP18': Value(dtype='int64', id=None), 'PubchemFP19': Value(dtype='int64', id=None), 'PubchemFP20': Value(dtype='int64', id=None), 'PubchemFP21': Value(dtype='int64', id=None), 'PubchemFP22': Value(dtype='int64', id=None), 'PubchemFP23': Value(dtype='int64', id=None), 'PubchemFP24': Value(dtype='int64', id=None), 'PubchemFP25': Value(dtype='int64', id=None), 'PubchemFP26': Value(dtype='int64', id=None), 'PubchemFP27': Value(dtype='int64', id=None), 'PubchemFP28': Value(dtype='int64', id=None), 'PubchemFP29': Value(dtype='int64', id=None), 'PubchemFP30': Value(dtype='int64', id=None), 'PubchemFP31': Value(dtype='int64', id=None), 'PubchemFP32': Value(dtype='int64', i
              ...
              , 'PubchemFP850': Value(dtype='int64', id=None), 'PubchemFP851': Value(dtype='int64', id=None), 'PubchemFP852': Value(dtype='int64', id=None), 'PubchemFP853': Value(dtype='int64', id=None), 'PubchemFP854': Value(dtype='int64', id=None), 'PubchemFP855': Value(dtype='int64', id=None), 'PubchemFP856': Value(dtype='int64', id=None), 'PubchemFP857': Value(dtype='int64', id=None), 'PubchemFP858': Value(dtype='int64', id=None), 'PubchemFP859': Value(dtype='int64', id=None), 'PubchemFP860': Value(dtype='int64', id=None), 'PubchemFP861': Value(dtype='int64', id=None), 'PubchemFP862': Value(dtype='int64', id=None), 'PubchemFP863': Value(dtype='int64', id=None), 'PubchemFP864': Value(dtype='int64', id=None), 'PubchemFP865': Value(dtype='int64', id=None), 'PubchemFP866': Value(dtype='int64', id=None), 'PubchemFP867': Value(dtype='int64', id=None), 'PubchemFP868': Value(dtype='int64', id=None), 'PubchemFP869': Value(dtype='int64', id=None), 'PubchemFP870': Value(dtype='int64', id=None), 'PubchemFP871': Value(dtype='int64', id=None), 'PubchemFP872': Value(dtype='int64', id=None), 'PubchemFP873': Value(dtype='int64', id=None), 'PubchemFP874': Value(dtype='int64', id=None), 'PubchemFP875': Value(dtype='int64', id=None), 'PubchemFP876': Value(dtype='int64', id=None), 'PubchemFP877': Value(dtype='int64', id=None), 'PubchemFP878': Value(dtype='int64', id=None), 'PubchemFP879': Value(dtype='int64', id=None), 'PubchemFP880': Value(dtype='int64', id=None), 'pIC50': Value(dtype='float64', id=None)}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1417, 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 1049, in convert_to_parquet
                  builder.download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 924, in download_and_prepare
                  self._download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1000, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1741, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1872, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 7 new columns ({'molecule_chembl_id', 'NumHDonors', 'NumHAcceptors', 'canonical_smiles', 'MW', 'bioactivity_class', 'LogP'}) and 881 missing columns ({'PubchemFP191', 'PubchemFP241', 'PubchemFP341', 'PubchemFP356', 'PubchemFP113', 'PubchemFP690', 'PubchemFP305', 'PubchemFP418', 'PubchemFP472', 'PubchemFP275', 'PubchemFP518', 'PubchemFP18', 'PubchemFP74', 'PubchemFP551', 'PubchemFP541', 'PubchemFP568', 'PubchemFP378', 'PubchemFP334', 'PubchemFP590', 'PubchemFP742', 'PubchemFP419', 'PubchemFP167', 'PubchemFP145', 'PubchemFP537', 'PubchemFP781', 'PubchemFP493', 'PubchemFP138', 'PubchemFP556', 'PubchemFP112', 'PubchemFP593', 'PubchemFP318', 'PubchemFP304', 'PubchemFP282', 'PubchemFP409', 'PubchemFP802', 'PubchemFP80', 'PubchemFP675', 'PubchemFP454', 'PubchemFP480', 'PubchemFP310', 'PubchemFP476', 'PubchemFP386', 'PubchemFP11', 'PubchemFP343', 'PubchemFP93', 'PubchemFP863', 'PubchemFP865', 'PubchemFP166', 'PubchemFP129', 'PubchemFP817', 'PubchemFP326', 'PubchemFP149', 'PubchemFP733', 'PubchemFP706', 'PubchemFP586', 'PubchemFP792', 'PubchemFP223', 'PubchemFP370', 'PubchemFP604', 'PubchemFP391', 'PubchemFP281', 'PubchemFP815', 'PubchemFP81', 'PubchemFP165', 'PubchemFP415', 'PubchemFP95', 'PubchemFP203', 'PubchemFP211', 'PubchemFP277', 'PubchemFP861', 'PubchemFP805', 'PubchemFP243', 'PubchemFP132', 'PubchemFP363', 'PubchemFP547', 'PubchemFP76', 'PubchemFP543', 'PubchemFP524', 'PubchemFP3', 'PubchemFP103', 'PubchemFP844', 'PubchemFP33', 'PubchemFP855', 'PubchemFP673', 'PubchemFP306', 'PubchemFP176', 'PubchemFP743', 'PubchemFP5', 'PubchemFP745', 'PubchemFP158', 'PubchemFP316', 'PubchemFP484', 'PubchemFP499', 'PubchemFP498', 'Pubchem
              ...
              chemFP622', 'PubchemFP184', 'PubchemFP853', 'PubchemFP250', 'PubchemFP331', 'PubchemFP171', 'PubchemFP375', 'PubchemFP396', 'PubchemFP747', 'PubchemFP522', 'PubchemFP487', 'PubchemFP714', 'PubchemFP350', 'PubchemFP583', 'PubchemFP558', 'PubchemFP574', 'PubchemFP385', 'PubchemFP687', 'PubchemFP572', 'PubchemFP533', 'PubchemFP233', 'PubchemFP60', 'PubchemFP420', 'PubchemFP649', 'PubchemFP359', 'PubchemFP616', 'PubchemFP548', 'PubchemFP397', 'PubchemFP528', 'PubchemFP647', 'PubchemFP740', 'PubchemFP570', 'PubchemFP674', 'PubchemFP232', 'PubchemFP59', 'PubchemFP254', 'PubchemFP753', 'PubchemFP90', 'PubchemFP878', 'PubchemFP49', 'PubchemFP57', 'PubchemFP66', 'PubchemFP352', 'PubchemFP437', 'PubchemFP588', 'PubchemFP342', 'PubchemFP795', 'PubchemFP0', 'PubchemFP613', 'PubchemFP287', 'PubchemFP295', 'PubchemFP377', 'PubchemFP660', 'PubchemFP188', 'PubchemFP851', 'PubchemFP852', 'PubchemFP58', 'PubchemFP860', 'PubchemFP535', 'PubchemFP381', 'PubchemFP637', 'PubchemFP725', 'PubchemFP786', 'PubchemFP520', 'PubchemFP442', 'PubchemFP4', 'PubchemFP459', 'PubchemFP596', 'PubchemFP351', 'PubchemFP193', 'PubchemFP552', 'PubchemFP44', 'PubchemFP727', 'PubchemFP179', 'PubchemFP843', 'PubchemFP592', 'PubchemFP809', 'PubchemFP189', 'PubchemFP641', 'PubchemFP741', 'PubchemFP658', 'PubchemFP99', 'PubchemFP629', 'PubchemFP808', 'PubchemFP666', 'PubchemFP290', 'PubchemFP671', 'PubchemFP87', 'PubchemFP45', 'PubchemFP160', 'PubchemFP234', 'PubchemFP763', 'PubchemFP471', 'PubchemFP446', 'PubchemFP286'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/DanielShunom/ubiquitin-l1-hydrolase-bioactivity/UBQTN_processed_allBioactivity.csv (at revision f960ca47b2a3d802c43851725f73d8c0b81b945e)
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)

Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.

PubchemFP0 int64	PubchemFP1 int64	PubchemFP2 int64	PubchemFP3 int64	PubchemFP9 int64	PubchemFP10 int64	PubchemFP11 int64	PubchemFP12 int64	PubchemFP14 int64	PubchemFP15 int64	PubchemFP16 int64	PubchemFP18 int64	PubchemFP19 int64	PubchemFP20 int64	PubchemFP21 int64	PubchemFP23 int64	PubchemFP24 int64	PubchemFP33 int64	PubchemFP37 int64	PubchemFP115 int64	PubchemFP116 int64	PubchemFP143 int64	PubchemFP145 int64	PubchemFP146 int64	PubchemFP150 int64	PubchemFP153 int64	PubchemFP178 int64	PubchemFP179 int64	PubchemFP180 int64	PubchemFP181 int64	PubchemFP184 int64	PubchemFP185 int64	PubchemFP186 int64	PubchemFP187 int64	PubchemFP188 int64	PubchemFP192 int64	PubchemFP193 int64	PubchemFP199 int64	PubchemFP200 int64	PubchemFP206 int64	PubchemFP255 int64	PubchemFP256 int64	PubchemFP257 int64	PubchemFP258 int64	PubchemFP259 int64	PubchemFP261 int64	PubchemFP283 int64	PubchemFP284 int64	PubchemFP285 int64	PubchemFP286 int64	PubchemFP287 int64	PubchemFP293 int64	PubchemFP294 int64	PubchemFP299 int64	PubchemFP305 int64	PubchemFP308 int64	PubchemFP332 int64	PubchemFP333 int64	PubchemFP334 int64	PubchemFP335 int64	PubchemFP336 int64	PubchemFP337 int64	PubchemFP338 int64	PubchemFP339 int64	PubchemFP340 int64	PubchemFP341 int64	PubchemFP342 int64	PubchemFP343 int64	PubchemFP344 int64	PubchemFP345 int64	PubchemFP346 int64	PubchemFP349 int64	PubchemFP351 int64	PubchemFP352 int64	PubchemFP353 int64	PubchemFP355 int64	PubchemFP356 int64	PubchemFP357 int64	PubchemFP358 int64	PubchemFP359 int64	PubchemFP361 int64	PubchemFP362 int64	PubchemFP363 int64	PubchemFP364 int64	PubchemFP365 int64	PubchemFP366 int64	PubchemFP368 int64	PubchemFP370 int64	PubchemFP371 int64	PubchemFP372 int64	PubchemFP373 int64	PubchemFP374 int64	PubchemFP375 int64	PubchemFP376 int64	PubchemFP377 int64	PubchemFP378 int64	PubchemFP379 int64	PubchemFP380 int64	PubchemFP381 int64	PubchemFP382 int64	PubchemFP383 int64	PubchemFP384 int64	PubchemFP385 int64	PubchemFP386 int64	PubchemFP387 int64	PubchemFP388 int64	PubchemFP389 int64	PubchemFP390 int64	PubchemFP391 int64	PubchemFP392 int64	PubchemFP393 int64	PubchemFP396 int64	PubchemFP397 int64	PubchemFP399 int64	PubchemFP400 int64	PubchemFP403 int64	PubchemFP405 int64	PubchemFP406 int64	PubchemFP412 int64	PubchemFP414 int64	PubchemFP416 int64	PubchemFP418 int64	PubchemFP420 int64	PubchemFP421 int64	PubchemFP430 int64	PubchemFP431 int64	PubchemFP432 int64	PubchemFP434 int64	PubchemFP435 int64	PubchemFP436 int64	PubchemFP437 int64	PubchemFP438 int64	PubchemFP439 int64	PubchemFP440 int64	PubchemFP441 int64	PubchemFP442 int64	PubchemFP443 int64	PubchemFP445 int64	PubchemFP446 int64	PubchemFP447 int64	PubchemFP448 int64	PubchemFP449 int64	PubchemFP450 int64	PubchemFP451 int64	PubchemFP452 int64	PubchemFP453 int64	PubchemFP457 int64	PubchemFP459 int64	PubchemFP461 int64	PubchemFP462 int64	PubchemFP464 int64	PubchemFP465 int64	PubchemFP470 int64	PubchemFP472 int64	PubchemFP473 int64	PubchemFP474 int64	PubchemFP475 int64	PubchemFP476 int64	PubchemFP480 int64	PubchemFP482 int64	PubchemFP483 int64	PubchemFP484 int64	PubchemFP485 int64	PubchemFP487 int64	PubchemFP488 int64	PubchemFP489 int64	PubchemFP490 int64	PubchemFP491 int64	PubchemFP493 int64	PubchemFP495 int64	PubchemFP498 int64	PubchemFP499 int64	PubchemFP500 int64	PubchemFP501 int64	PubchemFP502 int64	PubchemFP503 int64	PubchemFP504 int64	PubchemFP506 int64	PubchemFP507 int64	PubchemFP508 int64	PubchemFP513 int64	PubchemFP516 int64	PubchemFP519 int64	PubchemFP520 int64	PubchemFP521 int64	PubchemFP523 int64	PubchemFP524 int64	PubchemFP527 int64	PubchemFP528 int64	PubchemFP530 int64	PubchemFP531 int64	PubchemFP532 int64	PubchemFP533 int64	PubchemFP535 int64	PubchemFP536 int64	PubchemFP537 int64	PubchemFP538 int64	PubchemFP539 int64	PubchemFP540 int64	PubchemFP541 int64	PubchemFP542 int64	PubchemFP544 int64	PubchemFP545 int64	PubchemFP546 int64	PubchemFP547 int64	PubchemFP548 int64	PubchemFP549 int64	PubchemFP550 int64	PubchemFP552 int64	PubchemFP553 int64	PubchemFP555 int64	PubchemFP556 int64	PubchemFP560 int64	PubchemFP561 int64	PubchemFP564 int64	PubchemFP565 int64	PubchemFP566 int64	PubchemFP567 int64	PubchemFP569 int64	PubchemFP570 int64	PubchemFP572 int64	PubchemFP573 int64	PubchemFP574 int64	PubchemFP575 int64	PubchemFP576 int64	PubchemFP577 int64	PubchemFP578 int64	PubchemFP579 int64	PubchemFP580 int64	PubchemFP581 int64	PubchemFP582 int64	PubchemFP584 int64	PubchemFP585 int64	PubchemFP586 int64	PubchemFP589 int64	PubchemFP590 int64	PubchemFP591 int64	PubchemFP592 int64	PubchemFP593 int64	PubchemFP594 int64	PubchemFP595 int64	PubchemFP596 int64	PubchemFP597 int64	PubchemFP598 int64	PubchemFP599 int64	PubchemFP600 int64	PubchemFP601 int64	PubchemFP603 int64	PubchemFP604 int64	PubchemFP605 int64	PubchemFP606 int64	PubchemFP607 int64	PubchemFP608 int64	PubchemFP611 int64	PubchemFP613 int64	PubchemFP614 int64	PubchemFP615 int64	PubchemFP617 int64	PubchemFP618 int64	PubchemFP619 int64	PubchemFP620 int64	PubchemFP621 int64	PubchemFP623 int64	PubchemFP624 int64	PubchemFP625 int64	PubchemFP626 int64	PubchemFP628 int64	PubchemFP629 int64	PubchemFP630 int64	PubchemFP631 int64	PubchemFP632 int64	PubchemFP633 int64	PubchemFP634 int64	PubchemFP636 int64	PubchemFP637 int64	PubchemFP639 int64	PubchemFP640 int64	PubchemFP641 int64	PubchemFP642 int64	PubchemFP643 int64	PubchemFP645 int64	PubchemFP646 int64	PubchemFP647 int64	PubchemFP651 int64	PubchemFP653 int64	PubchemFP654 int64	PubchemFP655 int64	PubchemFP656 int64	PubchemFP657 int64	PubchemFP658 int64	PubchemFP659 int64	PubchemFP660 int64	PubchemFP662 int64	PubchemFP663 int64	PubchemFP664 int64	PubchemFP665 int64	PubchemFP666 int64	PubchemFP667 int64	PubchemFP668 int64	PubchemFP671 int64	PubchemFP672 int64	PubchemFP673 int64	PubchemFP674 int64	PubchemFP677 int64	PubchemFP678 int64	PubchemFP679 int64	PubchemFP680 int64	PubchemFP681 int64	PubchemFP682 int64	PubchemFP683 int64	PubchemFP684 int64	PubchemFP685 int64	PubchemFP686 int64	PubchemFP688 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End of preview.

🧬 Ubiquitin Carboxy-terminal L1 Hydrolase Target Bioactivity Dataset.

📖 Table of Contents

✨ Introduction
🔍 Dataset Overview
📊 Features
⬇️ Downloading the Dataset
- Direct Download Links
- Using Git LFS
💡 Example
🤝 Contributing
📜 License
📫 Contact

✨ Introduction

Welcome to the Ubiquitin L1 Hydrolase Target Bioactivity Dataset! This open-source dataset is meticulously curated to support machine learning applications in drug discovery and biochemical research focused on Ubiquitin L1 Hydrolase (Ubiquitin L1H). The dataset comprises compounds that have demonstrated activity or inactivity in the Ubiquitin L1 Hydrolase binding site, determined based on their IC₅₀ values. Whether you're developing predictive models or conducting exploratory analysis, this dataset provides high-quality data essential for understanding compound interactions with Ubiquitin L1 Hydrolase.

🔍 Dataset Overview

Total Samples: 17,421 compounds
- Active Compounds: 3,272
- Inactive Compounds: 14,149
Categorization Criteria:
- Active: Compounds exhibiting significant binding activity with Ubiquitin L1 Hydrolase based on IC₅₀ ≤ threshold_value μM.
- Inactive: Compounds showing no significant binding activity with IC₅₀ > threshold_value μM.
Data Sources:
- PubChem
- ChEMBL
- Custom experimental data
Features:
- SMILES: Simplified Molecular-Input Line-Entry System representation
- Molecular Descriptors: e.g., Molecular Weight, LogP, etc.
- Bioactivity Scores: IC₅₀ values
- Target Information: Binding affinity details
Format: Available in CSV and JSON formats

📊 Features

Rich Feature Set: Comprehensive molecular descriptors and bioactivity scores for in-depth analysis.
High-Quality Annotations: Verified and standardized data ensuring reliability.
Extensive Metadata: Includes references to original data sources and experimental conditions.
IC₅₀-Based Classification: Clear distinction between active and inactive compounds based on standardized IC₅₀ thresholds.

⬇️ Downloading the Dataset

You can download the dataset directly from Hugging Face or clone the repository to access the data files.

Direct Download Links

Download the dataset files in your preferred format:

CSV Format:
- Download active_compounds.csv
- Download inactive_compounds.csv
JSON Format:
- Download active_compounds.json
- Download inactive_compounds.json

Using Git LFS

If you prefer to clone the repository to access the dataset files, follow these steps:

Install Git LFS:

Git Large File Storage (LFS) is required to handle large dataset files.

# For macOS
brew install git-lfs

# For Windows
choco install git-lfs

# For Linux
sudo apt-get install git-lfs

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