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Datasets:
SiriusQuantum
/
SQMolecular

Tasks:
Tabular Regression
Modalities:
Tabular
Text
Formats:
parquet
Languages:
English
Size:
10K - 100K
ArXiv:
Tags:
chemistry
quantum-chemistry
molecular-property
correlation-energy
delta-learning
full-configuration-interaction
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
SQMolecular
5.49 MB
  • 1 contributor
History: 9 commits
deryakarl's picture
deryakarl
Scope: drop last 'representation' wording
2ba6919 verified 3 days ago
  • .gitattributes
    2.5 kB
    initial commit 3 days ago
  • README.md
    7.49 kB
    Scope: drop last 'representation' wording 3 days ago
  • chem_relabel_10k.parquet
    5.48 MB
    xet
    Add SQMolecular FCI/MP2 parquet (10,038 rows) 3 days ago