Oxidation State: Results

Dataset Results
Filename Description Uploaded At Storage Operation
optimum features_ensemble.png Optimum features producing max accuracy for the ensemble! 2025-08-26 16:20:35 Drive View | Download
Class Distribution of model data.png Distribution of the parsed & curated compounds according to their oxidation state. 2025-08-26 16:20:34 Drive View | Download
Weighted base models vs performance.png The base models (custom, final), if weighted, how the performance would change. 2025-08-26 16:20:33 Drive View | Download
Weighted base models vs performance without LGBM.png The base models (as in the paper this project reflected) , if weighted, how the performance would change 2025-08-26 16:20:32 Drive View | Download
optimum features_extra_trees.png Optimum features producing max accuracy for one of the base models (ExtrTreesClassifier)) 2025-08-26 16:20:31 Drive View | Download
Learning curve for GB base model.png To tune the base models hyperopt was used. A learning curve helps to estimate how many trials an algorithm (GradientBoosting) might need for choosing the right hyperparameters. 2025-08-26 16:20:30 Drive View | Download
confusion matrix_paper.png The confusion matrix of the ensemble (pretrained) as loaded from the authors shared space. 2025-08-26 16:20:29 Drive View | Download
PCA_Cu.png Principal component analysis for the cu complexes present in the dataset. 2025-08-26 16:20:27 Drive View | Download
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