Datasets:

Duplicated from raulsofia/pharmacophore2mol

raulsofia
/

geom_drugs

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Tags:

conformer-generation

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Dataset card Data Studio Files Files and versions

geom_drugs / 5confs

12.3 GB

1 contributor

History: 8 commits

raulsofia's picture

Rename 5confs/geom_drugs_5confs.smi to 5confs/5confs_smiles.smi

2d0d35a verified 27 days ago

test
Add files using upload-large-folder tool 27 days ago
train
Add files using upload-large-folder tool 27 days ago
5confs_confs.sdf

5.73 GB
xet

Rename 5confs/geom_drugs_5confs.sdf to 5confs/5confs_confs.sdf 27 days ago
5confs_counts.csv

58.7 MB
xet

Rename 5confs/5confs_confs.csv to 5confs/5confs_counts.csv 27 days ago
5confs_smiles.smi

278 MB
xet

Rename 5confs/geom_drugs_5confs.smi to 5confs/5confs_smiles.smi 27 days ago