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openkinome
/
kinoml
Structure-informed machine learning for kinase modeling
https://openkinome.org/kinoml/
MIT License
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21
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Pending issues from `api` PR
#35
jaimergp
closed
3 years ago
0
Modeling updates
#34
schallerdavid
closed
3 years ago
5
"Buried treasure" data set
#33
t-kimber
opened
3 years ago
2
missing sidechains
#32
schallerdavid
closed
3 years ago
0
adding jupyter notebook for featurization and cluster assignment
#31
jiayeguo
closed
4 years ago
0
adding jupyter notebook for featurization and cluster assignment
#30
jiayeguo
closed
3 years ago
0
Adding kinase featurizing scripts
#29
jiayeguo
closed
4 years ago
4
adding kinase featurizing code
#28
jiayeguo
closed
4 years ago
2
running notebook with custom loss class for skorch.
#27
t-kimber
opened
4 years ago
1
Homology modelling
#26
glass-w
closed
3 years ago
3
XGBoost package.
#25
t-kimber
closed
4 years ago
1
kinoml installation
#24
t-kimber
closed
3 years ago
1
IO handling
#23
schallerdavid
closed
3 years ago
1
Observation model
#22
t-kimber
closed
4 years ago
2
Ligand-based progress tracking
#21
jaimergp
closed
3 years ago
3
Structural API
#20
jaimergp
closed
3 years ago
6
Structure-oriented object model
#19
jaimergp
closed
3 years ago
1
Revisit caching strategy
#18
jaimergp
opened
4 years ago
1
PyTorch implementation for RF/XGB
#17
jaimergp
closed
3 years ago
3
Memory performance
#16
jaimergp
closed
4 years ago
1
KinoML workflow
#15
t-kimber
closed
4 years ago
1
Workflow sketch
#14
t-kimber
closed
4 years ago
1
Implement loglikelihood
#13
jaimergp
closed
4 years ago
1
:construction: Change Graph featurizer
#12
t-kimber
closed
4 years ago
1
Manage testing with tox
#11
4383
closed
4 years ago
2
Provide (experimental) support for mkdocs documentation
#10
jaimergp
closed
4 years ago
1
Try using mkdocs instead of sphinx
#9
jaimergp
closed
4 years ago
2
Datasets API (building on brainstormed dreamed example)
#8
jaimergp
closed
3 years ago
6
Simplify GHA's conda setup
#7
jaimergp
closed
4 years ago
0
Refactor ligand-based models into a library-like project
#6
jaimergp
closed
4 years ago
2
Add support for Windows CI in GHA
#5
jaimergp
closed
4 years ago
0
Adapt Travis to GitHub actions
#4
jaimergp
closed
4 years ago
1
Add kinomescan dataset handlers
#3
jaimergp
closed
4 years ago
1
Refactor `kinmodel` set of scripts
#2
jaimergp
opened
5 years ago
0
Add skel
#1
jaimergp
closed
5 years ago
3
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