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

   Scikit-learn compatible library for molecular fingerprints and chemoinformatics

   Python 393 32

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. MLCIL/benchmarking_molecular_models MLCIL/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 18 5

4. MLCIL/bayes-testkit MLCIL/bayes-testkit Public

   Bayes Test Kit: Bayesian statistical tests for comparing machine learning models.

   Python 16 1