The dataset viewer is not available for this subset.
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/hdf5/hdf5.py", line 49, in _split_generators
import h5py
ModuleNotFoundError: No module named 'h5py'
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 71, 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.
HIP-UMA-OMol25
Dataset of UMA-S-1.2 (uma-s-1p2) predictions and autograd Hessians of OMol-1 train geometries, using the omol task.
Contents
Each HDF5 file contains molecular configurations with:
atomic_numbers,coords, andnatomscharge,spin,spin_multiplicity, andunrestrictedenergy,forces, and densehessian_flatatom_ptrandhessian_ptrfor reconstructing variable-size arrays- OMol matching fields:
omol_index,source,data_id,sid,reference_source, andcomposition - optional OMol reference labels:
dft_energy,dft_forces, andhas_dft_labels
The teacher labels are float32:
- energy: eV
- forces: eV/Angstrom
- Hessian: eV/Angstrom^2
Reproducing UMA inputs
Use task_name=omol, UMA-S-1.2, FP32, and a 120 Angstrom molecular cell.
The OMol25 spin field is the spin multiplicity. Charge and spin are
required conditioning inputs and must be passed through the equivalent of
r_data_keys=["spin", "charge"].
Provenance
- Parent dataset: OMol-1 train, release
260123 - Sampling: fixed-seed uniform sample, seed
20260729 - Model:
uma-s-1p2 - Hessian mode: loop
- Precision: float32
omol_index is the index into the parent OMol-1 train ASE-LMDB. The
additional identity fields and molecular geometry are included to support
cross-checking and use without the parent dataset.
Format
HDF5 is the canonical release format. It preserves random access and variable-size dense Hessians without padding. FairChem graph/training caches should be generated locally from these files because their exact representation depends on FairChem version and training configuration.
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