Dataset Viewer
The dataset viewer is not available for this subset.
Cannot get the split names for the config 'default' of the dataset.
Exception:    SplitsNotFoundError
Message:      The split names could not be parsed from the dataset config.
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.14/site-packages/datasets/inspect.py", line 286, in get_dataset_config_info
                  for split_generator in builder._split_generators(
                                         ~~~~~~~~~~~~~~~~~~~~~~~~~^
                      StreamingDownloadManager(base_path=builder.base_path, download_config=download_config)
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  )
                  ^
                File "/usr/local/lib/python3.14/site-packages/datasets/packaged_modules/webdataset/webdataset.py", line 80, in _split_generators
                  raise ValueError(
                  ...<2 lines>...
                  )
              ValueError: The TAR archives of the dataset should be in WebDataset format, but the files in the archive don't share the same prefix or the same types.
              
              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/split_names.py", line 68, in compute_split_names_from_streaming_response
                  for split in get_dataset_split_names(
                               ~~~~~~~~~~~~~~~~~~~~~~~^
                      path=dataset,
                      ^^^^^^^^^^^^^
                      config_name=config,
                      ^^^^^^^^^^^^^^^^^^^
                      token=hf_token,
                      ^^^^^^^^^^^^^^^
                  )
                  ^
                File "/usr/local/lib/python3.14/site-packages/datasets/inspect.py", line 340, in get_dataset_split_names
                  info = get_dataset_config_info(
                      path,
                  ...<6 lines>...
                      **config_kwargs,
                  )
                File "/usr/local/lib/python3.14/site-packages/datasets/inspect.py", line 291, in get_dataset_config_info
                  raise SplitsNotFoundError("The split names could not be parsed from the dataset config.") from err
              datasets.inspect.SplitsNotFoundError: The split names could not be parsed from the dataset config.

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.

Provisional — do not use

This dataset is provisional and should not be used by anyone at this point. Licensing for one of the source datasets remains unresolved. No dataset license is assigned by this repository. Included source-license notes are provenance, not a grant of rights to the combined collection.

This is the final canonical heavy-atom collection and the exact packed runtime cache used by FSBFPocket. Preparation/training/sampling code and definitions are in https://github.com/MurrellGroup/FSBFPocket . The corrected annotation schema is pli-interaction-evidence-v2-all-scopes: ligand–ligand, ligand–protein, and protein–protein interactions, symmetric order-invariant ring-plane tests, and explicit uncertainty. These are geometric annotations, not measured bonds.

The collection contains 1,240,225 records: 597,749 GEOM-Drugs conformers, 500,000 ProFSADB fragments, 94,381 BindingNet docked examples and 48,095 PLINDER examples including peptides. The manifest distinguishes origins and ligand classes. Seven confirmed PLINDER defects are retained for provenance but excluded by the training admission policy in the code.

Use the GitHub download command to verify and extract the artifacts. The full portable collection includes provenance, original structures, primary heavy-atom arrays and rich annotation evidence. The packed cache contains all inputs and split assignments needed for training; original source downloads are not required to train. Older annotation files inside the portable archive are provenance only: the reader and training use the corrected v2 annotations.

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