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jglaser
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binding_affinity

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binding_affinity

1.19 GB

1 contributor

History: 43 commits

jglaser's picture

update to most recent DBs, add split without KRAS

558c2c3 about 4 years ago

data
update to most recent DBs, add split without KRAS about 4 years ago
.gitattributes
52.8 kB

update to most recent DBs, add split without KRAS about 4 years ago
README.md
2.33 kB

update to most recent DBs, add split without KRAS about 4 years ago
binding_affinity.py
7.41 kB

update to most recent DBs, add split without KRAS about 4 years ago
bindingdb.ipynb
26.2 kB

update to most recent DBs, add split without KRAS about 4 years ago
biolip.ipynb
20.4 kB

update to most recent DBs, add split without KRAS about 4 years ago
biolip.py
1.48 kB

update to most recent DBs, add split without KRAS about 4 years ago
biolip.slurm
187 Bytes

update to most recent DBs, add split without KRAS about 4 years ago
combine_dbs.ipynb
61.2 kB

update to most recent DBs, add split without KRAS about 4 years ago
combine_predictions.py
203 Bytes

add deepcoy DEKOIS and DUDE predictions over 4 years ago
dcoid.py
2.28 kB

add D-COID data set over 4 years ago
dcoid.slurm
375 Bytes

add D-COID data set over 4 years ago
dcoid_combine.py
352 Bytes

add RF2 scoring for testing over 4 years ago
dcoid_rf2.py
2.11 kB

add RF2 scoring for testing over 4 years ago
dcoid_rf2.slurm
382 Bytes

add RF2 scoring for testing over 4 years ago
deepcoy_combine.py
1.59 kB

update predictions for D-COID and deepcoy/DEKOIS over 4 years ago
dekois_targets.txt
888 Bytes

update predictions for D-COID and deepcoy/DEKOIS over 4 years ago
dude.py
2.01 kB

add dude processing scripts over 4 years ago
dude.slurm
154 Bytes

add dude processing scripts over 4 years ago
dude_combine.py
246 Bytes

split DUD-E into smaller partitions over 4 years ago
dude_targets.txt
1.07 kB

update predictions for D-COID and deepcoy/DEKOIS over 4 years ago
moad.ipynb
19.3 kB

update to most recent DBs, add split without KRAS about 4 years ago
moad.py
930 Bytes

Add README.md, notebooks and preprocessing scripts over 4 years ago
moad.slurm
182 Bytes

add slurm scripts over 4 years ago
pdbbind.ipynb
10.4 kB

update to most recent DBs, add split without KRAS about 4 years ago
pdbbind.py
1.18 kB

update to most recent DBs, add split without KRAS about 4 years ago
pdbbind.slurm
162 Bytes

update to most recent DBs, add split without KRAS about 4 years ago
requirements.txt
56 Bytes

remove outliers over 4 years ago