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openkinome
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experiments-binding-affinity
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Add getting started section
#43
schallerdavid
closed
2 years ago
0
New kinoml object models
#42
schallerdavid
closed
2 years ago
0
test new yaml with pyg
#41
schallerdavid
closed
2 years ago
0
Ligand-based experiments: EGFR subset
#40
t-kimber
closed
3 years ago
0
Ligand graph fix
#39
t-kimber
opened
3 years ago
0
Protect master branch
#38
schallerdavid
closed
3 years ago
3
Major fix for tests on ligand-based and kinase-informed level.
#37
t-kimber
closed
3 years ago
2
Kinase-informed models
#36
t-kimber
closed
3 years ago
3
Examples 2
#35
t-kimber
closed
3 years ago
2
CI fix
#34
t-kimber
closed
3 years ago
0
CI checks from examples
#33
t-kimber
closed
3 years ago
0
Revert "Examples"
#32
t-kimber
closed
3 years ago
1
Models not running
#31
t-kimber
closed
3 years ago
1
add installation instructions to README
#30
schallerdavid
opened
3 years ago
0
Experiments template
#29
t-kimber
closed
3 years ago
3
Tests/examples
#28
t-kimber
closed
3 years ago
0
Unite yamls
#27
schallerdavid
closed
3 years ago
2
Graph convolutional network for ligand only
#26
t-kimber
closed
3 years ago
1
Composite tests fail
#25
schallerdavid
closed
3 years ago
0
Fix features kwargs
#24
schallerdavid
closed
3 years ago
1
Update conda environment
#23
t-kimber
closed
3 years ago
0
Update CODEOWNERS
#22
t-kimber
closed
3 years ago
0
Add CI badge to README
#21
jchodera
closed
3 years ago
0
Add CI badge to README
#20
jchodera
closed
3 years ago
0
Create CI badge in README
#19
jchodera
closed
3 years ago
0
Featurize kinase composition
#18
t-kimber
closed
3 years ago
1
Model ligand graph
#17
t-kimber
closed
3 years ago
1
Featurize ligand as graph
#16
t-kimber
closed
3 years ago
1
Model ligand fingerprint
#15
t-kimber
closed
3 years ago
1
Featurize ligand as fingerprint
#14
t-kimber
closed
3 years ago
1
Training tests do not work
#13
schallerdavid
closed
3 years ago
1
Can not create environment from environment.yaml
#12
schallerdavid
closed
3 years ago
2
KLIFS binding site
#11
t-kimber
opened
3 years ago
0
Examples
#10
t-kimber
closed
3 years ago
3
Graph Convolutional Neural Network
#9
t-kimber
opened
3 years ago
1
Awkward arrays, dG model
#8
jaimergp
closed
3 years ago
1
update featurization calls
#7
jaimergp
closed
3 years ago
1
do not use `relative_to(home)` in path debugging
#6
jaimergp
closed
3 years ago
1
Issue with testing example for kinoml and experiments-binding-affinity
#5
sukritsingh
closed
3 years ago
2
Workflow tests
#4
t-kimber
closed
3 years ago
1
Features missing
#3
t-kimber
closed
3 years ago
0
Papermill
#2
jaimergp
closed
3 years ago
1
Ligand based experiments
#1
jaimergp
closed
3 years ago
0