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Datasets:
SupraBench
/
Binding-Affinity
like
0
Follow
SupraBench
5
Tasks:
Tabular Regression
Modalities:
Image
Text
Formats:
parquet
optimized-parquet
Size:
1K - 10K
Tags:
chemistry
supramolecular
binding-affinity
host-guest
smiles
molecular-structures
Libraries:
Datasets
pandas
Polars
+ 1
License:
cc-by-4.0
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
Binding-Affinity
110 MB
1 contributor
History:
7 commits
mtybilly
Document 3D structure access (Files tab + hf_hub_download)
e2bc8bb
verified
9 days ago
data
Add comprehensive per-record anchor dataset (2,609 records, host+guest structures+environment)
9 days ago
structures_3d
Add SupraBench molecular structures: SMILES + 2D images + 3D conformers (1,470 components)
9 days ago
.gitattributes
Safe
2.5 kB
initial commit
9 days ago
README.md
4.79 kB
Document 3D structure access (Files tab + hf_hub_download)
9 days ago
failures.csv
3.24 kB
Add SupraBench molecular structures: SMILES + 2D images + 3D conformers (1,470 components)
9 days ago