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Datasets:
jglaser
/
binding_affinity
like
14
Modalities:
Tabular
Text
Size:
1M - 10M
Tags:
molecules
chemistry
SMILES
Libraries:
Datasets
Croissant
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Files
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Community
2
main
binding_affinity
/
data
Commit History
eliminate index
94c9517
jglaser
commited on
Feb 20, 2022
convert dtype to float32
5a93178
jglaser
commited on
Feb 20, 2022
update datasets
36e04be
jglaser
commited on
Feb 6, 2022
add covalent inhibitors split
7aad16b
jglaser
commited on
Jan 30, 2022
add dataset with maximum sequence length 512
fd1b48a
jglaser
commited on
Nov 26, 2021
really remove all KRAS proteins
7fffd73
jglaser
commited on
Nov 23, 2021
update to most recent DBs, add split without KRAS
558c2c3
jglaser
commited on
Nov 19, 2021
add IC50 values back
d7c19d0
jglaser
commited on
Jul 8, 2021
update dataset to only inclulde Ki/Kd (but not IC50/EC50)
fad2eb6
jglaser
commited on
Jul 7, 2021
make smiles canonical
9737168
jglaser
commited on
Jul 5, 2021
update deepcoy DUDE predictions
91dc8a9
jglaser
commited on
Jul 4, 2021
update predictions for D-COID and deepcoy/DEKOIS
c066e7c
jglaser
commited on
Jul 2, 2021
add deepcoy DEKOIS and DUDE predictions
fe94b5c
jglaser
commited on
Jun 29, 2021
add RF2 scoring for testing
0a05de5
jglaser
commited on
Jun 28, 2021
add D-COID data set
d802ce7
jglaser
commited on
Jun 25, 2021
update predictions
acf20bc
jglaser
commited on
Jun 25, 2021
add DUDE predictions
87404f2
jglaser
commited on
Jun 24, 2021
repartition DUD-E data
8a87fcb
jglaser
commited on
Jun 24, 2021
add DUDE test data set
c3db9b7
jglaser
commited on
Jun 24, 2021
normalize affinities
85bd2ca
jglaser
commited on
May 27, 2021
remove outliers
5225bab
jglaser
commited on
May 27, 2021
add parquet file
89a844e
jglaser
commited on
May 25, 2021
jglaser
commited on
