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  1. sspa-PARAFAC sspa-PARAFAC Public

    Complete scripts used to produce the results of Imperial MRes Biomedical Research - Data Science 2024-2025 Project 1.

    Jupyter Notebook

  2. DrugSynthMC2 DrugSynthMC2 Public

    DrugSynthMC2 (dsmc2) is a target-specific multi-objective de novo drug design software based on Nested Monte Carlo Search (T Cazenave, 2009).

    Jupyter Notebook 1

  3. ChemPlot ChemPlot Public

    Forked from mcsorkun/ChemPlot

    A python package for chemical space visualization.

    Jupyter Notebook