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.

RiboMotion MD trajectories — anonymous review release

This dataset contains processed molecular-dynamics (MD) coordinates and metadata for 730 RNA systems and 309 RNA–ligand complexes (1,039 systems; 1,032,430 exported frames). It is prepared for double-blind review. The collection has nine logical archives: metadata, six trajectory shards by cohort and grouped partition, RNA–ligand dry parameterized inputs, and a two-system worked example. The large ligand train shard is distributed as numbered parts in files/ligand_train_parts/.

The archive contains trajectories and metadata. The companion archive in files/benchmark_parts/ provides six-task test labels, frozen predictions, final split membership, score receipts and small validation examples for result replay with the separate anonymous code package. It does not contain complete train/validation benchmark labels or model weights.

Cohort Systems Train / validation / test Frames/system Recorded sampling protocol
RNA 730 551 / 82 / 97 991 100 ps; 0–99 ns
RNA–ligand 309 210 / 50 / 49 1,000 Nominal 80 ps; nominal 20.08–100 ns

For the ligand cohort, the physical time axis is derived from the archived production/export protocol. The processed XTC time field contains frame indices, not independently measured times; original 20–100 ns execution logs have not been reconciled for every system. The trajectory shards provide selected, imaged and fitted coordinate exports, not solvent trajectories or complete solvated production restarts. The two cohorts used distinct documented simulation protocols and are not paired apo/holo observations.

Download and verify

Download files/SHA256SUMS and the required archives. To reconstruct the ligand train shard, download all numbered files and SHA256SUMS from files/ligand_train_parts/, then run in that directory:

sha256sum -c SHA256SUMS
cat RiboMotion_trajectories_ligand_train.tar.part?? > RiboMotion_trajectories_ligand_train.tar

Move the reconstructed TAR beside the other archives. For the full collection:

sha256sum -c SHA256SUMS
unzip RiboMotion_MD_metadata_review.zip
tar -xf RiboMotion_trajectories_core_train.tar
tar -xf RiboMotion_trajectories_core_validation.tar
tar -xf RiboMotion_trajectories_core_test.tar
tar -xf RiboMotion_trajectories_ligand_train.tar
tar -xf RiboMotion_trajectories_ligand_validation.tar
tar -xf RiboMotion_trajectories_ligand_test.tar

Run the root hash check in the directory containing all nine reconstructed or directly downloaded archives, or select the relevant lines of SHA256SUMS for a partial download. All metadata and trajectory shards extract under a common RiboMotion/ root. The RiboMotion_MD_example_review.zip should be extracted separately. Metadata include the manifest, source-structure references, mappings, simulation methods, quality notes and a small trajectory reader. The parameterized-input ZIP supplies dry Amber starting inputs and ligand parameters, not full solvent production restarts.

For benchmark result replay, download all eight numbered files from files/benchmark_parts/ alongside the companion code archive. In a directory containing those parts, reconstruct and verify the ZIP with:

sha256sum -c SHA256SUMS
cat RiboMotion_benchmark_data_20260924.zip.part?? > RiboMotion_benchmark_data_20260924.zip
sha256sum -c RiboMotion_benchmark_data_20260924.sha256

The full-archive checksum file is in files/benchmark_parts/. Extract both archives into the same parent directory so their RiboMotion_code/ folders merge. The benchmark data archive is a test-set and result-replay companion; training labels and checkpoints are outside its scope.

Scope and rights

RiboMotion-generated material is CC BY 4.0 to the extent of the contributors' rights. Original RCSB PDB structural data and external software retain their respective source terms. The source package contains detailed RIGHTS_AND_ATTRIBUTION.md, LICENSE.md, and simulation documentation. Author attribution is withheld during double-blind review and will be restored for the final archival release.

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