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jglaser
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binding_affinity

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binding_affinity

Commit History

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

split DUD-E into smaller partitions

7e5a878

jglaser commited on Jun 24, 2021

repartition DUD-E data

8a87fcb

jglaser commited on Jun 24, 2021

add dude processing scripts

8c24393

jglaser commited on Jun 24, 2021

add DUDE test data set

c3db9b7

jglaser commited on Jun 24, 2021

add slurm scripts

347e64c

jglaser commited on Jun 24, 2021

update notebooks

f880234

jglaser commited on Jun 24, 2021

update loader script

220c3d6

jglaser commited on May 27, 2021

normalize affinities

85bd2ca

jglaser commited on May 27, 2021

remove outliers

5225bab

jglaser commited on May 27, 2021

update requirements.txt

6fa82f3

jglaser commited on May 25, 2021

add label

f0f758f

jglaser commited on May 25, 2021

update README

2baec9f

jglaser commited on May 25, 2021

fix typo

8fb1a9b

jglaser commited on May 25, 2021

fix formatting

509d849

jglaser commited on May 25, 2021

amend README.md

fdf1d40

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

add parquet file

89a844e

jglaser commited on May 25, 2021

Add README.md, notebooks and preprocessing scripts

4e3b836

jglaser commited on May 25, 2021