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Datasets:

Duplicated from  raulsofia/pharmacophore2mol

raulsofia
/
geom_drugs

Modalities:
Text
Formats:
csv
Size:
100K - 1M
Tags:
chemistry
conformer-generation
molecules
Libraries:
Datasets
Dask
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
geom_drugs
73.3 GB
  • 1 contributor
History: 37 commits
raulsofia's picture
raulsofia
Update README.md
1adf960 verified 27 days ago
  • 5confs
    Rename 5confs/geom_drugs_5confs.smi to 5confs/5confs_smiles.smi 27 days ago
  • allconfs
    Rename allconfs/geom_drugs.smi to allconfs/allconfs_smiles.smi 27 days ago
  • .gitattributes
    4.8 kB
    Rename allconfs/geom_drugs.smi to allconfs/allconfs_smiles.smi 27 days ago
  • README.md
    4.01 kB
    Update README.md 27 days ago