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Datasets:
jglaser
/
binding_affinity
Like
21
Modalities:
Tabular
Text
Size:
1M - 10M
Tags:
molecules
chemistry
SMILES
Libraries:
Datasets
Croissant
Dataset card
Data Studio
Files
Files and versions
xet
Community
2
5a93178
binding_affinity
/
data
1.26 GB
Ctrl+K
Ctrl+K
1 contributor
History:
21 commits
jglaser
convert dtype to float32
5a93178
over 4 years ago
dude
repartition DUD-E data
over 5 years ago
.gitattributes
Safe
52 Bytes
add dataset with maximum sequence length 512
almost 5 years ago
all.parquet
228 MB
xet
convert dtype to float32
over 4 years ago
all_512.parquet
88 MB
xet
add dataset with maximum sequence length 512
almost 5 years ago
all_ic50.parquet
211 MB
xet
add IC50 values back
over 5 years ago
all_nokras.parquet
236 MB
xet
convert dtype to float32
over 4 years ago
bindingdb.parquet
282 MB
xet
update to most recent DBs, add split without KRAS
almost 5 years ago
biolip.parquet
2.77 MB
xet
update to most recent DBs, add split without KRAS
almost 5 years ago
biolip_complex.parquet
15.2 MB
xet
update to most recent DBs, add split without KRAS
almost 5 years ago
cov.parquet
94.3 kB
xet
convert dtype to float32
over 4 years ago
dcoid.parquet
Safe
598 kB
xet
add D-COID data set
over 5 years ago
dcoid_predict.parquet
621 kB
xet
update predictions for D-COID and deepcoy/DEKOIS
over 5 years ago
dcoid_rf2.parquet
148 kB
xet
add RF2 scoring for testing
over 5 years ago
deepcoy_dekois_predict.parquet
3.66 MB
xet
update predictions for D-COID and deepcoy/DEKOIS
over 5 years ago
deepcoy_dude_predict.parquet
38.8 MB
xet
update deepcoy DUDE predictions
over 5 years ago
dude_predict.parquet
39.2 MB
xet
update predictions
over 5 years ago
moad.parquet
1.72 MB
xet
update to most recent DBs, add split without KRAS
almost 5 years ago
moad_complex.parquet
990 kB
xet
update to most recent DBs, add split without KRAS
almost 5 years ago
pdbbind.parquet
6.35 MB
xet
update to most recent DBs, add split without KRAS
almost 5 years ago
pdbbind_complex.parquet
6.08 MB
xet
update to most recent DBs, add split without KRAS
almost 5 years ago
scaling.json
Safe
191 Bytes
update to most recent DBs, add split without KRAS
almost 5 years ago
