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Datasets:
jglaser
/
binding_affinity
like
14
Modalities:
Tabular
Text
Size:
1M - 10M
Tags:
molecules
chemistry
SMILES
Libraries:
Datasets
Croissant
Dataset card
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Files
Files and versions
Community
2
220c3d6
binding_affinity
1 contributor
History:
25 commits
jglaser
update loader script
220c3d6
over 3 years ago
data
normalize affinities
over 3 years ago
.gitattributes
Safe
53 Bytes
add parquet file
over 3 years ago
README.md
Safe
2.07 kB
update README
over 3 years ago
binding_affinity.py
Safe
7.79 kB
update loader script
over 3 years ago
bindingdb.ipynb
Safe
25.9 kB
Add README.md, notebooks and preprocessing scripts
over 3 years ago
biolip.ipynb
Safe
17 kB
Add README.md, notebooks and preprocessing scripts
over 3 years ago
biolip.py
Safe
1.49 kB
Add README.md, notebooks and preprocessing scripts
over 3 years ago
combine_dbs.ipynb
Safe
61.4 kB
normalize affinities
over 3 years ago
moad.ipynb
Safe
17.1 kB
Add README.md, notebooks and preprocessing scripts
over 3 years ago
moad.py
Safe
930 Bytes
Add README.md, notebooks and preprocessing scripts
over 3 years ago
pdbbind.ipynb
Safe
7.39 kB
Add README.md, notebooks and preprocessing scripts
over 3 years ago
pdbbind.py
Safe
1.18 kB
Add README.md, notebooks and preprocessing scripts
over 3 years ago
requirements.txt
Safe
56 Bytes
remove outliers
over 3 years ago
