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1. dual-jnk3-gsk3b-ga-feature-selection dual-jnk3-gsk3b-ga-feature-selection Public

   Genetic Algorithm feature selection with XGBoost for predicting dual JNK3/GSK3β docking candidates, validated on unseen molecular scaffolds. MSc research project, QMUL.

   Jupyter Notebook

2. bbb-permeability-prediction bbb-permeability-prediction Public

   Comparing RDKit descriptors + LightGBM against a Chemprop graph neural network for blood-brain barrier permeability, evaluated across five scaffold splits with paired statistical testing.

   Python