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Datasets:
SupraBench
/
Binding-Affinity
like
0
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SupraBench
6
Tasks:
Tabular Regression
Modalities:
Image
Text
Formats:
parquet
optimized-parquet
Size:
1K - 10K
ArXiv:
arxiv:
2606.13477
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
2
refs/pr/2
Binding-Affinity
1 contributor
History:
8 commits
nielsr
HF Staff
Add paper link and GitHub repository to dataset card
d8b66ac
verified
15 days ago
data
Add comprehensive per-record anchor dataset (2,609 records, host+guest structures+environment)
27 days ago
structures_3d
Add SupraBench molecular structures: SMILES + 2D images + 3D conformers (1,470 components)
27 days ago
.gitattributes
Safe
2.5 kB
initial commit
27 days ago
README.md
5.03 kB
Add paper link and GitHub repository to dataset card
15 days ago
failures.csv
3.24 kB
Add SupraBench molecular structures: SMILES + 2D images + 3D conformers (1,470 components)
27 days ago
