gmum/mldd23
The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the machine learning research group GMUM.
This resource provides comprehensive materials for learning how to apply machine learning techniques in drug discovery and design. It guides you through using molecular data, applying classical and deep learning models to predict molecular properties, and generating new molecules. This is designed for students and researchers in cheminformatics, medicinal chemistry, and computational biology looking to integrate AI into their work.
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Use this if you are a student or researcher in drug discovery or chemistry seeking to understand and implement machine learning methods for tasks like QSAR, virtual screening, and de novo molecule design.
Not ideal if you are looking for a plug-and-play software tool for immediate drug design without learning the underlying computational methods.
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May 26, 2023
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