Datasets:

jglaser
/

binding_affinity

Modalities:

Size:

Tags:

Libraries:

Dataset card Viewer Files Files and versions Community

binding_affinity / combine_dbs.ipynb

Commit History

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