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Datasets:
jglaser
/
binding_affinity
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9
Tags:
molecules
chemistry
SMILES
Croissant
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main
binding_affinity
/
data
1 contributor
History:
22 commits
jglaser
eliminate index
94c9517
about 2 years ago
dude
repartition DUD-E data
almost 3 years ago
.gitattributes
52 Bytes
add dataset with maximum sequence length 512
over 2 years ago
all.parquet
228 MB
LFS
eliminate index
about 2 years ago
all_512.parquet
88 MB
LFS
add dataset with maximum sequence length 512
over 2 years ago
all_ic50.parquet
211 MB
LFS
add IC50 values back
almost 3 years ago
all_nokras.parquet
228 MB
LFS
eliminate index
about 2 years ago
bindingdb.parquet
282 MB
LFS
update to most recent DBs, add split without KRAS
over 2 years ago
biolip.parquet
2.77 MB
LFS
update to most recent DBs, add split without KRAS
over 2 years ago
biolip_complex.parquet
15.2 MB
LFS
update to most recent DBs, add split without KRAS
over 2 years ago
cov.parquet
93.9 kB
LFS
eliminate index
about 2 years ago
dcoid.parquet
598 kB
LFS
add D-COID data set
almost 3 years ago
dcoid_predict.parquet
621 kB
LFS
update predictions for D-COID and deepcoy/DEKOIS
almost 3 years ago
dcoid_rf2.parquet
148 kB
LFS
add RF2 scoring for testing
almost 3 years ago
deepcoy_dekois_predict.parquet
3.66 MB
LFS
update predictions for D-COID and deepcoy/DEKOIS
almost 3 years ago
deepcoy_dude_predict.parquet
38.8 MB
LFS
update deepcoy DUDE predictions
almost 3 years ago
dude_predict.parquet
39.2 MB
LFS
update predictions
almost 3 years ago
moad.parquet
1.72 MB
LFS
update to most recent DBs, add split without KRAS
over 2 years ago
moad_complex.parquet
990 kB
LFS
update to most recent DBs, add split without KRAS
over 2 years ago
pdbbind.parquet
6.35 MB
LFS
update to most recent DBs, add split without KRAS
over 2 years ago
pdbbind_complex.parquet
6.08 MB
LFS
update to most recent DBs, add split without KRAS
over 2 years ago
scaling.json
191 Bytes
update to most recent DBs, add split without KRAS
over 2 years ago