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.

Physics-Inspired Landscape Learning and Flow Matching

LandFlow trajectory supervision

This repository contains the 3,000-trajectory bank used to train the LandFlow route potential, the fixed CrossDocked split, atom-number metadata, reference metric cache, and the PAFlow-ready CrossDocked pocket data required by the reproduction workflow.

The bank contains 50 recorded states per trajectory (150,000 supervised state examples). It was built from 100 training pockets using three frozen PAFlow sampling settings and does not contain the paper test pockets as training trajectories.

The CrossDocked portion contains the processed LMDB used directly by PAFlow, the 93-pocket test receptor set, and the compressed pocket10 source files used to regenerate processed data. The source archive expands to about 15 GB and is kept compressed because it contains roughly 389,000 small files.

CrossDocked2020 is redistributed under the CC0 1.0 Universal Public Domain Dedication. See data/CrossDocked2020_LICENSE.txt and the original distribution at https://bits.csb.pitt.edu/files/crossdock2020/.

Use the matching LandFlow GitHub release to download and extract the data:

python scripts/download_artifacts.py --include-crossdocked --extract-test-set
python scripts/verify_install.py --require-crossdocked
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