Datasets:

Alexasparis
/

AF3TCRpMHC

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 83, 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 66, 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.

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AlphaFold 3 Predicted Structures derived from IMMREP23 dataset and PDB annotated TCR-pMHC sequences.

Files:

20231212_immrep23.tar.gz - AF3-predicted TCR-pMHC structures derived from the IMMREP23 dataset.
20250813_curated_pdb_tcrpmhc_classI.tar.gz - curated set of experimentally determined TCR-pMHC class I structures from the Protein Data Bank (PDB).
20250813_AF3_models_pdb_tcrpmhc_classI.tar.gz - AF3-predicted structures corresponding to the curated PDB TCR-pMHC class I dataset.
20250501_tcrvdb_YLQPRTFLL_GLCTLVAML.tar.gz - AF3-predicted TCR-pMHC structures from the TCRvdb

License: CC BY-NC 4.0 – Attribution-NonCommercial You may use these models for research and educational purposes only, non-commercially.

Toolkit for analyzing the structures: https://github.com/Alexasparis/AF3TCRpMHC.git

Annotations for TCRvdb TCR-pMHC complexes: https://github.com/schumacherlab/TCRvdb.git

Annotations for IMMREP23 TCR-pMHC complexes: https://github.com/justin-barton/IMMREP23.git

Please cite:

Ascunce-París et al. Structural quality-tier assessment for TCR-pMHC functional enrichment. Front. Immunol. 17:1869810. (2026) doi: 10.3389/fimmu.2026.1869810
TCRvdb: Messemaker M, et al. A functionally validated TCR-pMHC database for TCR specificity model development. bioRxiv [Preprint] (2025). doi: 10.1101/2025.04.28.651095. PMID: 40463065; PMCID: PMC12132471.
AlphaFold 3: Abramson, J. et al. Accurate structure prediction of biomolecular interactions with AlphaFold 3. Nature (2024). doi: 10.1038/s41586-024-07487-w.
ImmRep23: Nielsen M, et al. Lessons learned from the IMMREP23 TCR-epitope prediction challenge. ImmunoInformatics (2024). doi:10.1016/j.immuno.2024.100045.
Protein Data Bank (PDB): Berman HM, et al. The Protein Data Bank. Nucleic Acids Res (2000). doi: 10.1093/nar/28.1.235.

This work is provided under the AlphaFold 3 Output Terms of Use: https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md

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