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1. scikit-fingerprints/scikit-fingerprints scikit-fingerprints/scikit-fingerprints Public

   Scikit-learn compatible library for molecular fingerprints and chemoinformatics

   Python 312 19

2. cracow-roads-capacity cracow-roads-capacity Public

   Cracow's roads graph analysis and exploration. Data exploration course on AGH UST Data Science Ms

   Jupyter Notebook 20 3

3. scikit-fingerprints/benchmarking_molecular_models scikit-fingerprints/benchmarking_molecular_models Public

   Code for the article "Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning" https://arxiv.org/abs/2508.06199

   Jupyter Notebook 9 1

4. scikit-fingerprints/bbt-test scikit-fingerprints/bbt-test Public

   PyMC port of Bayesian Bradley-Terry model for multi-algorithm multi-dataset comparison

   Python 2