gitter-lab active-learning-drug-discovery issues - Githubissues

gitter-lab / active-learning-drug-discovery

End-to-end active learning pipeline for virtual screening and drug discovery

MIT License

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Update test.yml on new branch

#14 kassabry opened 8 months ago
1
Added the workflow file for sample data

#13 kassabry closed 8 months ago
1
Make CPU conda environment the default

#12 agitter opened 11 months ago
0
Switch continuous integration to GitHub Actions

#11 agitter closed 3 years ago
0
Related work: Multi-objective active machine learning rapidly improves structure–activity models and reveals new protein–protein interaction inhibitors

#10 agitter opened 5 years ago
0
Related work: Accurate Hit Estimation for Iterative Screening Using Venn–ABERS Predictors

#9 agitter opened 5 years ago
0
Scoring multiple assays

#8 agitter opened 5 years ago
0
Ordinal regression

#7 agitter opened 5 years ago
1
Optimizing clustering

#6 agitter opened 5 years ago
2
Quantifying uncertainty

#5 agitter opened 5 years ago
0
Simulation runs to find good parameters

#4 Malnammi opened 5 years ago
0
Strategy Evaluation

#3 Malnammi opened 5 years ago
5
Incorporating cost

#2 Malnammi opened 5 years ago
3
Remarks/issues with current weighted exploitation-exploration strategy

#1 Malnammi opened 5 years ago
3