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binding_affinity

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binding_affinity

1 contributor

History: 44 commits

jglaser's picture

update README

a6bc330 over 3 years ago

data
update to most recent DBs, add split without KRAS over 3 years ago
.gitattributes

52.8 kB

update to most recent DBs, add split without KRAS over 3 years ago
README.md

2.37 kB

update README over 3 years ago
binding_affinity.py

7.41 kB

update to most recent DBs, add split without KRAS over 3 years ago
bindingdb.ipynb

26.2 kB

update to most recent DBs, add split without KRAS over 3 years ago
biolip.ipynb

20.4 kB

update to most recent DBs, add split without KRAS over 3 years ago
biolip.py

1.48 kB

update to most recent DBs, add split without KRAS over 3 years ago
biolip.slurm

187 Bytes

update to most recent DBs, add split without KRAS over 3 years ago
combine_dbs.ipynb

61.2 kB

update to most recent DBs, add split without KRAS over 3 years ago
combine_predictions.py

203 Bytes

add deepcoy DEKOIS and DUDE predictions almost 4 years ago
dcoid.py

2.28 kB

add D-COID data set almost 4 years ago
dcoid.slurm

375 Bytes

add D-COID data set almost 4 years ago
dcoid_combine.py

352 Bytes

add RF2 scoring for testing almost 4 years ago
dcoid_rf2.py

2.11 kB

add RF2 scoring for testing almost 4 years ago
dcoid_rf2.slurm

382 Bytes

add RF2 scoring for testing almost 4 years ago
deepcoy_combine.py

1.59 kB

update predictions for D-COID and deepcoy/DEKOIS over 3 years ago
dekois_targets.txt

888 Bytes

update predictions for D-COID and deepcoy/DEKOIS over 3 years ago
dude.py

2.01 kB

add dude processing scripts almost 4 years ago
dude.slurm

154 Bytes

add dude processing scripts almost 4 years ago
dude_combine.py

246 Bytes

split DUD-E into smaller partitions almost 4 years ago
dude_targets.txt

1.07 kB

update predictions for D-COID and deepcoy/DEKOIS over 3 years ago
moad.ipynb

19.3 kB

update to most recent DBs, add split without KRAS over 3 years ago
moad.py

930 Bytes

Add README.md, notebooks and preprocessing scripts almost 4 years ago
moad.slurm

182 Bytes

add slurm scripts almost 4 years ago
pdbbind.ipynb

10.4 kB

update to most recent DBs, add split without KRAS over 3 years ago
pdbbind.py

1.18 kB

update to most recent DBs, add split without KRAS over 3 years ago
pdbbind.slurm

162 Bytes

update to most recent DBs, add split without KRAS over 3 years ago
requirements.txt

56 Bytes

remove outliers almost 4 years ago