Dataset Preview
Duplicate
The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
The dataset generation failed
Error code:   DatasetGenerationError
Exception:    TypeError
Message:      int() argument must be a string, a bytes-like object or a real number, not 'NoneType'
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1531, in _prepare_split_single
                  for key, record in generator:
                                     ^^^^^^^^^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 613, in wrapped
                  for item in generator(*args, **kwargs):
                              ~~~~~~~~~^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/webdataset/webdataset.py", line 127, in _generate_examples
                  for example_idx, example in enumerate(self._get_pipeline_from_tar(tar_path, tar_iterator)):
                                              ~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/webdataset/webdataset.py", line 32, in _get_pipeline_from_tar
                  for filename, f in tar_iterator:
                                     ^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/utils/track.py", line 49, in __iter__
                  for x in self.generator(*self.args):
                           ~~~~~~~~~~~~~~^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/utils/file_utils.py", line 1400, in _iter_from_urlpath
                  with xopen(urlpath, "rb", download_config=download_config, block_size=0) as f:
                       ~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/utils/file_utils.py", line 977, in xopen
                  file_obj = fs.open(paths[0], mode)
                File "<string>", line 3, in open
                File "/usr/local/lib/python3.14/unittest/mock.py", line 1176, in __call__
                  return self._mock_call(*args, **kwargs)
                         ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/unittest/mock.py", line 1180, in _mock_call
                  return self._execute_mock_call(*args, **kwargs)
                         ~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/unittest/mock.py", line 1247, in _execute_mock_call
                  result = effect(*args, **kwargs)
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 786, in wrapped
                  tracker.files[urlpath] = {"read": 0, "size": int(f.size)}
                                                               ~~~^^^^^^^^
              TypeError: int() argument must be a string, a bytes-like object or a real number, not 'NoneType'
              
              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 1369, in compute_config_parquet_and_info_response
                  parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
                                                                        ~~~~~~~~~~~~~~~~~~~~~~~~~^
                      builder, max_dataset_size_bytes=max_dataset_size_bytes
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  )
                  ^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
                  builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
                  ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1393, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ~~~~~~~~~~~~~~~~~~~~~~~~~~^
                      gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  ):
                  ^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1571, in _prepare_split_single
                  raise DatasetGenerationError("An error occurred while generating the dataset") from e
              datasets.exceptions.DatasetGenerationError: An error occurred while generating the dataset

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.

pkl
unknown
__key__
string
__url__
string
[ 128, 4, 149, 142, 35, 0, 0, 0, 0, 0, 0, 140, 17, 114, 100, 107, 105, 116, 46, 67, 104, 101, 109, 46, 114, 100, 99, 104, 101, 109, 148, 140, 3, 77, 111, 108, 148, 147, 148, 66, 98, 35, 0, 0, 239, 190, 173, 222, 0, 0, ...
mols/T9E
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
[ 128, 4, 149, 4, 102, 0, 0, 0, 0, 0, 0, 140, 17, 114, 100, 107, 105, 116, 46, 67, 104, 101, 109, 46, 114, 100, 99, 104, 101, 109, 148, 140, 3, 77, 111, 108, 148, 147, 148, 66, 216, 101, 0, 0, 239, 190, 173, 222, 0, 0, ...
mols/L7A
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
[ 128, 4, 149, 36, 64, 0, 0, 0, 0, 0, 0, 140, 17, 114, 100, 107, 105, 116, 46, 67, 104, 101, 109, 46, 114, 100, 99, 104, 101, 109, 148, 140, 3, 77, 111, 108, 148, 147, 148, 66, 248, 63, 0, 0, 239, 190, 173, 222, 0, 0, ...
mols/9BZ
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
[ 128, 4, 149, 168, 237, 0, 0, 0, 0, 0, 0, 140, 17, 114, 100, 107, 105, 116, 46, 67, 104, 101, 109, 46, 114, 100, 99, 104, 101, 109, 148, 140, 3, 77, 111, 108, 148, 147, 148, 66, 124, 237, 0, 0, 239, 190, 173, 222, 0, 0,...
mols/5EX
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
[ 128, 4, 149, 28, 52, 0, 0, 0, 0, 0, 0, 140, 17, 114, 100, 107, 105, 116, 46, 67, 104, 101, 109, 46, 114, 100, 99, 104, 101, 109, 148, 140, 3, 77, 111, 108, 148, 147, 148, 66, 240, 51, 0, 0, 239, 190, 173, 222, 0, 0, ...
mols/8U3
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
[ 128, 4, 149, 154, 69, 0, 0, 0, 0, 0, 0, 140, 17, 114, 100, 107, 105, 116, 46, 67, 104, 101, 109, 46, 114, 100, 99, 104, 101, 109, 148, 140, 3, 77, 111, 108, 148, 147, 148, 66, 110, 69, 0, 0, 239, 190, 173, 222, 0, 0, ...
mols/4R1
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
"gASV71sAAAAAAACMEXJka2l0LkNoZW0ucmRjaGVtlIwDTW9slJOUQsNbAADvvq3eAAAAABAAAAACAAAAAAAAABQAAAATAAAAgAE(...TRUNCATED)
mols/WGN
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
"gASV5RwAAAAAAACMEXJka2l0LkNoZW0ucmRjaGVtlIwDTW9slJOUQrkcAADvvq3eAAAAABAAAAACAAAAAAAAAAYAAAAFAAAAgAE(...TRUNCATED)
mols/CNH
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
"gASVW78AAAAAAACMEXJka2l0LkNoZW0ucmRjaGVtlIwDTW9slJOUQi+/AADvvq3eAAAAABAAAAACAAAAAAAAACEAAAAmAAAAgAE(...TRUNCATED)
mols/OIJ
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
"gASV7TwAAAAAAACMEXJka2l0LkNoZW0ucmRjaGVtlIwDTW9slJOUQsE8AADvvq3eAAAAABAAAAACAAAAAAAAAA8AAAAPAAAAgAE(...TRUNCATED)
mols/S3B
hf://datasets/Yuxuan-Li/CheMoDesign-data@2a8de0bf4f762a67012d307756b0141d5357e410/mols.tar
End of preview.

CheMoDesign data pack

Files a CheMoDesign checkout needs besides the source repository.

  • boltz2_conf.ckpt and mols.tar are the Boltz-2 confidence weights and the Boltz chemical-component library. Both are redistributed under the MIT license. Copyright (c) 2024 Jeremy Wohlwend, Gabriele Corso, Saro Passaro. See LICENSE.boltz.
  • custom_ligands/ holds the noncanonical components used by the manuscript examples: BPUAA, FSYH, GUANG, K3ME, KACU, NITRO, PTYU, SULF, TET2, and TYS. SULF here is the designed sulfonamide, not the standard CCD sulfate.

The Boltz-2 affinity checkpoint is not included. CheMoDesign does not call it.

Download this pack with:

python -m dream_boltz2.cli.setup_data
Downloads last month
61