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1. BESPE-MACCS BESPE-MACCS Public

   A proof-of-concept type demo of the Binary Encoded SMARTS Pattern Enumeration + Molecular aCCess System molecular descriptor developed as part of Bachelor's Thesis: "Molecular descriptor engineerin…

   Python 1

2. gamma_radiation gamma_radiation Public

   Project for visualizing gamma radiation spikes of radioactive compounds

   Python

3. SMARTS_pattern_enumeration SMARTS_pattern_enumeration Public

   Part of Bachelor's Thesis: Molecular descriptor engineering for machine learning predictions in atmospheric science. Cheminformatics data generation and analysis of SIMPOL functional groups.

   Jupyter Notebook 1

4. magnetic_anisotropy magnetic_anisotropy Public

   Python project for studying magnetic isotropy of a magnetic film from hysteresis loop data gathered with Kerr microscopy. Post-processing removes the faraday effect from the experimental data and s…

   Python

5. probability-based-BOW probability-based-BOW Public

   Applies probability based bag-of-words model for toxicity classification of social media texts

   Python