Issues

• Demonstrate usage of Logloss in tuning for more calibrated probability outcomes

  documentation
  Bayer-Group/MotherML#119 · Filter by author junkha opened on Oct 26, 2026
  

• Enhancement: Add a TabR-style kNN embedding encoder to NODE

  enhancementhelp wanted
  Bayer-Group/MotherML#113 · Filter by author thomasATbayer opened on Oct 17, 2026 · Scientific and Statistical Improvement
  

• Add **TabM** as a first-class classification and regression estimator in Mother, using the existing skorch-based PyTorch integration patterns.

  enhancementhelp wanted
  Bayer-Group/MotherML#105 · Filter by author thomasATbayer opened on Oct 15, 2026 · Scientific and Statistical Improvement
  1

  

• TabPFN maintenance

  enhancement
  Task

  Bayer-Group/MotherML#104 · Filter by author hanyangii opened on Oct 14, 2026
  

• Use uncertainty scores for Active Learning acquisition

  enhancement
  Task

  Bayer-Group/MotherML#103 · Filter by author junkha opened on Oct 13, 2026
  

• Calibrate uncertainties and probabilities of CVEnsembles

  enhancement
  Feature

  Bayer-Group/MotherML#100 · Filter by author junkha opened on Oct 6, 2026 · Scientific and Statistical Improvement
  

• Introduce ensemble models by combining trained models from MotherCV

  enhancementgood first issue
  Feature

  Bayer-Group/MotherML#90 · Filter by author junkha opened on Sep 24, 2026 · Scientific and Statistical Improvement
  

• Feature Request: Preserve Mother Pipeline Metadata in CatBoost .cbm Exports

  Bayer-Group/MotherML#89 · Filter by author thomasATbayer opened on Sep 23, 2026
  

• Add hyperparameter tuning support for fingerprint/feature generation

  enhancementhelp wanted
  Feature

  Bayer-Group/MotherML#88 · Filter by author thomasATbayer opened on Sep 21, 2026

• Retrospective active learning: per-compound CatBoost object importance from mother_cv

  enhancement
  Feature

  Bayer-Group/MotherML#86 · Filter by author thomasATbayer opened on Sep 21, 2026
  

• For catboost ranker introduce higher is better/ lower is better option

  enhancement
  Feature

  Bayer-Group/MotherML#85 · Filter by author thomasATbayer opened on Sep 18, 2026
  

• Introduce Fine Tuning of Chemeleon Fingerprints

  enhancementhelp wanted
  Feature

  Bayer-Group/MotherML#84 · Filter by author thomasATbayer opened on Sep 9, 2026
  

• Offer Greedy Boruta as faster option in addition to standard Boruta

  enhancementhelp wanted
  Feature

  Bayer-Group/MotherML#77 · Filter by author thomasATbayer opened on Aug 31, 2026
  

• **kwargs for Morgan Fingerprints, Handling Not clear

  bug
  Bug

  Bayer-Group/MotherML#76 · Filter by author ThomasWolf0701 opened on Aug 30, 2026 · RDKIT UGM Release
  

• Python 3.14 is not supported on Windows

  bugdocumentation
  Bayer-Group/MotherML#67 · Filter by author thomasATbayer opened on Aug 4, 2026
  

• Make bootstrap level in Catboost tunable

  enhancement
  Feature

  Bayer-Group/MotherML#63 · Filter by author thomasATbayer opened on Jul 28, 2026 · Scientific and Statistical Improvement
  

• End-to-end Chemprop + Mother MLP/Flow Heads

  enhancementhelp wanted
  Bayer-Group/MotherML#53 · Filter by author thomasATbayer opened on Jul 17, 2026

• plot_cv_indices() shows overlapping test/train folds for TimeSeriesSplit #426

  bug
  Bayer-Group/MotherML#51 · Filter by author thomasATbayer opened on Jul 6, 2026 · Fix bugs and maintanance
  

• Grouping not respected in GroupKFold in notebook 01_basic_regression.ipynb #452

  bug
  Bayer-Group/MotherML#50 · Filter by author thomasATbayer opened on Jul 6, 2026 · Fix bugs and maintanance
  

• Make GP Sampler the standard Optuna Sampler when torch is installed

  enhancementhelp wanted
  Feature

  Bayer-Group/MotherML#46 · Filter by author thomasATbayer opened on Jul 1, 2026 · Scientific and Statistical Improvement
  1

  

• Add dedicated feature importance for ranking

  enhancementhelp wanted
  Bayer-Group/MotherML#43 · Filter by author thomasATbayer opened on Jun 29, 2026 · Scientific and Statistical Improvement
  1

  

• Introduce Chatterjeexi as standard correlation for feature selection

  enhancementhelp wanted
  Bayer-Group/MotherML#42 · Filter by author thomasATbayer opened on Jun 26, 2026 · Scientific and Statistical Improvement
  2

  

• Add SHAP Explainability for all core models

  enhancementhelp wanted
  Task

  Bayer-Group/MotherML#41 · Filter by author thomasATbayer opened on Jun 26, 2026 · Scientific and Statistical Improvement
  1

  

• Enable Users to provide their own cv function and/or tuning function to optuna

  enhancement
  Bayer-Group/MotherML#37 · Filter by author thomasATbayer opened on Jun 25, 2026 · RDKIT UGM Release
  

• Improve memory safety by Release Memory After CV Folds and Optimization Trials

  Bayer-Group/MotherML#32 · Filter by author thomasATbayer opened on Jun 22, 2026
  1