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molecular-representation-learning

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c-vandenberg / machine-learning-in-drug-discovery

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Literature review exploring the intersection of molecular representations, cheminformatics, and machine learning within the field of chemistry. Each section is paired with JupyterLab exercises that utilise custom Python classes and utility functions, designed to facilitate hands-on learning and practical application.

machine-learning chemistry cheminformatics python3 molecular-representation molecular-representation-learning
  • Updated Nov 16, 2024
  • Jupyter Notebook

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