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binding_affinity

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binding_affinity / combine_dbs.ipynb

Commit History

eliminate index

94c9517

jglaser commited on Feb 20, 2022

convert dtype to float32

5a93178

jglaser commited on Feb 20, 2022

update notebooks

75e835a

jglaser commited on Feb 6, 2022

add covalent inhibitors split

7aad16b

jglaser commited on Jan 30, 2022

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

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 notebooks

f880234

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 README.md, notebooks and preprocessing scripts

4e3b836

jglaser commited on May 25, 2021

Commit History

eliminate index 94c9517

convert dtype to float32 5a93178

update notebooks 75e835a

add covalent inhibitors split 7aad16b

really remove all KRAS proteins 7fffd73

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

update notebooks f880234

normalize affinities 85bd2ca

remove outliers 5225bab

Add README.md, notebooks and preprocessing scripts 4e3b836