All datasets / SiriusQuantum

SiriusQuantum/SQMolecular95k

33 downloads in 30 days0 likesLast modified 24 Jul 2026View on Hugging Face

Unclear

The checks could not identify a recognised licence ID in the dataset's metadata.

Declared licence: other, from the tagEvidence: README.md at 7bab3c4
Licence name on the card: sqmolecular95k-attribution-1.0, link: LICENSEEvidence: README.md at 7bab3c4
Licence files: LICENSE, licence not identifiedEvidence: LICENSE at 7bab3c4
Declared sources: 2
Access gated on Hugging Face: No

Each cell links to what was checked: a file, a file list or a Hub record.

Sources listed in the card metadata

fabikru/pubchem-1M-randomized-smiles-cleanedno licence statedUnclearEvidence: README.md at 80ae38f
sagawa/pubchem-10m-canonicalizedapache-2.0PermissiveEvidence: README.md at f832196

Tasks

tabular-regression

Citation text from the card

@article{karli2026sqmolecular,
  title     = {SQMolecular95k: An Exact Active-Space FCI Benchmark for Delta-Learning Correlation Energies},
  author    = {Karli, Derya},
  year      = {2026},
  publisher = {Sirius Quantum Solutions},
  url       = {https://huggingface.co/datasets/SiriusQuantum/SQMolecular95k}
}

@dataset{sqmolecular95k_2026,
  title     = {SQMolecular95k: Exact FCI Correlation Energies for Delta-Learning},
  author    = {{Sirius Quantum Solutions}},
  year      = {2026},
  publisher = {Sirius Quantum Solutions},
  url       = {https://huggingface.co/datasets/SiriusQuantum/SQMolecular95k}
}

All datasets marked Unclear | JSON

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dataset_licence({ "id": "SiriusQuantum/SQMolecular95k" })
signal: "unclear"
stated_licence: "other"
sources: 2