Dlux804 McQuade-Chem-ML issues

Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.

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issues

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Hot fix

#100 qle2 opened 3 years ago
1
Troubleshoot pipeline

#99 qle2 opened 3 years ago
0
Final Clean up for Public Eyes

#98 Dlux804 closed 3 years ago
0
Da fix

#97 qle2 closed 3 years ago
0
Da fix

#96 qle2 closed 3 years ago
1
Da fix

#95 qle2 closed 3 years ago
0
Da fix

#94 qle2 closed 3 years ago
1
Multi-label classification workflow still needs evaluation metrics to be saved.

#93 dickeygh opened 4 years ago
0
Development andres

#92 andreshyer closed 4 years ago
1
Q dev

#91 qle2 closed 4 years ago
1
Classification does not create predictions.csv files

#90 andreshyer closed 4 years ago
0
Q dev

#89 qle2 closed 4 years ago
2
Learning curve

#88 qle2 closed 4 years ago
1
Development andres

#87 andreshyer closed 4 years ago
5
Fix ontology and fix bug

#86 qle2 closed 4 years ago
1
Added new sklearn models and hyper-paremeter tuning for classification workflow.

#85 dickeygh closed 4 years ago
3
Sklearn classifiers failing with hyper-parameter tuning

#84 dickeygh opened 4 years ago
2
Some sklearn classification models not working with hyper-parameter tuning.

#83 dickeygh closed 4 years ago
0
Some classification models not working on multi-label data sets.

#82 dickeygh opened 4 years ago
0
Hot fix neo4j bug

#81 qle2 closed 4 years ago
0
Neo4j time analyzes

#80 andreshyer closed 4 years ago
1
Neo4j dev

#79 qle2 closed 4 years ago
1
Hot fix neo4j files

#78 qle2 closed 4 years ago
1
Unit test

#77 qle2 closed 4 years ago
1
Main.py cleanup, storage for classification workflow, graphical evaluation for single-label classification

#76 dickeygh closed 4 years ago
4
Development andres

#75 andreshyer closed 4 years ago
1
Unit Test for new Machine Learning pipeline

#74 qle2 closed 4 years ago
0
Cleaning up Main.py

#73 dickeygh closed 4 years ago
2
Json neo4j

#72 qle2 closed 4 years ago
3
Json neo4j

#71 qle2 closed 4 years ago
1
Fixed issue moleculenet classification data sets not running properly.

#70 dickeygh closed 4 years ago
1
Json neo4j

#69 qle2 closed 4 years ago
1
Development andres

#68 andreshyer closed 4 years ago
1
Fixed issues with classification data sets

#67 dickeygh closed 4 years ago
1
Fix bug where molecules were not sorted for some reason

#66 andreshyer closed 4 years ago
0
Development andres

#65 andreshyer closed 4 years ago
1
Development andres

#64 andreshyer closed 4 years ago
1
Development andres

#63 andreshyer closed 4 years ago
1
Added multi-label classification for the sider data set.

#62 dickeygh closed 4 years ago
1
Adding tf-keras based neural network to pipeline

#61 Dlux804 closed 4 years ago
1
Moleculenet classification data sets not working properly.

#60 dickeygh closed 4 years ago
1
Development andres

#59 andreshyer closed 4 years ago
1
Update to fix param_grid export to json

#58 andreshyer closed 4 years ago
2
Development andres

#57 andreshyer closed 4 years ago
3
Development andres

#56 andreshyer closed 4 years ago
1
Made changes to code pipeline to allow main.py to run. Also fixed several TODO's

#55 dickeygh closed 4 years ago
2
Fix param grid to be exported

#54 andreshyer closed 4 years ago
7
Update main.py to match new version of models.py

#53 andreshyer closed 4 years ago
0
Code refactorization to use model class instance ubiquitously

#52 Dlux804 closed 4 years ago
2
Multi Target Classification

#51 Dlux804 closed 4 years ago
0