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1. ML_QSAR_Bioactivity_Predictions ML_QSAR_Bioactivity_Predictions Public

   End-to-end Python workflows for bioactivity prediction and QSAR modeling using machine learning, applied to small-molecule drug discovery datasets.

   Jupyter Notebook

2. Molecular_Docking Molecular_Docking Public

   An introductory and comprehensive, step-by-step guide on Molecular docking. Designed for beginners and early-career researchers in medicinal chemistry and computational drug discovery.

3. ANOVA_Analysis_of_Antibacterial_Zone_of_Inhibition_Data ANOVA_Analysis_of_Antibacterial_Zone_of_Inhibition_Data Public

   This repository contains the Python code and data used to perform one-way ANOVA and Tukey HSD post-hoc analysis on antibacterial zone of inhibition measurements.

   Jupyter Notebook

4. PfCDPK4_QSAR_Classification_ML_Pipeline PfCDPK4_QSAR_Classification_ML_Pipeline Public

   This repository contains a reproducible machine learning workflow for ligand-based prediction of PfCDPK4 inhibitors using molecular fingerprints and multiple classification algorithms.

   Jupyter Notebook

5. Class-Demo Class-Demo Public

   Class model files