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binding_affinity

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binding_affinity / binding_affinity.py

Commit History

remove hack

8ffbe2c

jglaser commited on Feb 20, 2022

fix version number

1c3a7be

jglaser commited on Feb 20, 2022

fix typo

8f150cc

jglaser commited on Jan 30, 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

fix skip download feature

5680ee8

jglaser commited on Nov 21, 2021

enable offline mode

88fe72c

jglaser commited on Nov 21, 2021

fix dataset loading script

db83314

jglaser commited on Nov 21, 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

make smiles canonical

9737168

jglaser commited on Jul 5, 2021

update loader script

220c3d6

jglaser commited on May 27, 2021

add label

f0f758f

jglaser commited on May 25, 2021

fix features

19d511a

jglaser commited on May 25, 2021

use pyarrow

030a380

jglaser commited on May 25, 2021

try fix download

405beed

jglaser commited on May 25, 2021

try fix download

3e4676d

jglaser commited on May 25, 2021

tweak script

1b1c7d1

jglaser commited on May 25, 2021

use all data for training for now

0b73ad0

jglaser commited on May 25, 2021

try a different URL

d22fced

jglaser commited on May 25, 2021

fix import

3ef617d

jglaser commited on May 25, 2021

try fixing generate_tables

16d1b7f

jglaser commited on May 25, 2021

update script

e4cf46b

jglaser commited on May 25, 2021

add generate_tables

08e2855

jglaser commited on May 25, 2021

update script

f1fd211

jglaser commited on May 25, 2021

update script

25e8851

jglaser commited on May 25, 2021

add datasets script

434fe63

jglaser commited on May 25, 2021