Hugging Face's logo Hugging Face
  • Models
  • Datasets
  • Spaces
  • Docs
  • Enterprise
  • Pricing

  • Log In
  • Sign Up

Datasets:
erwallace
/
LigBoundConf2.0

Modalities:
Tabular
Text
Formats:
parquet
Size:
1K - 10K
ArXiv:
Libraries:
Datasets
Dask
Dataset card Data Studio Files Files and versions Community
1
LigBoundConf2.0
  • 1 contributor
History: 5 commits
erwallace's picture
erwallace
Update README.md
e1a6e11 verified 4 months ago
  • .gitattributes
    2.59 kB
    Upload 6 files 4 months ago
  • README.md
    2.33 kB
    Update README.md 4 months ago
  • SMILES.csv
    470 kB
    Upload 6 files 4 months ago
  • ligboundconf_2_crest_local_min.sdf
    11.2 MB
    LFS
    Upload 6 files 4 months ago
  • ligboundconf_2_molecules_and_energies.parquet
    5.08 MB
    LFS
    Upload 6 files 4 months ago
  • ligboundconf_2_raw.sdf
    11.4 MB
    LFS
    Upload 6 files 4 months ago
  • ligboundconf_2_xtb_global_min.sdf
    9.03 MB
    Upload 6 files 4 months ago
  • strain_releif_output_mace_from_ligboundconf_xtb.parquet
    5.16 MB
    LFS
    Upload 6 files 4 months ago