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binding_affinity

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binding_affinity / data /all.parquet

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

update to most recent DBs, add split without KRAS

558c2c3

jglaser commited on Nov 19, 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

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

Commit History

eliminate index 94c9517

convert dtype to float32 5a93178

update datasets 36e04be

update to most recent DBs, add split without KRAS 558c2c3

update dataset to only inclulde Ki/Kd (but not IC50/EC50) fad2eb6

make smiles canonical 9737168

normalize affinities 85bd2ca

remove outliers 5225bab

add parquet file 89a844e