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Datasets:
structure-epflai
/
pubchem-compound
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STRUCTURE @ EPFL AI team
3
Modalities:
Text
Formats:
parquet
Size:
100M - 1B
Tags:
chemistry
pubchem
molecular-structures
Libraries:
Datasets
Dask
Polars
+ 1
License:
ncbi-data-use-policy
Dataset card
Data Studio
Files
Files and versions
xet
Community
main
pubchem-compound
21.1 GB
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1 contributor
History:
2 commits
rohangautam
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports
7c57b23
verified
5 days ago
data
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports
5 days ago
source
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports
5 days ago
.gitattributes
Safe
2.5 kB
initial commit
5 days ago
README.md
Safe
3.83 kB
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports
5 days ago
collate_pubchem.py
Safe
18 kB
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports
5 days ago
manifest.json
Safe
62.3 kB
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports
5 days ago
