gozsari/Awesome-GNN-based-drug-discovery
This is a curated list of research papers, resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.
This curated list helps drug discovery researchers and computational chemists navigate the complex landscape of Graph Neural Networks (GNNs) for drug discovery. It compiles scholarly papers, molecular datasets, software libraries, and learning tutorials. The output is a comprehensive reference to accelerate research into new drug candidates.
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Use this if you are a drug discovery scientist or computational chemist looking for GNN-based methods and resources to analyze molecules and predict drug properties.
Not ideal if you are looking for ready-to-use software for general machine learning tasks or non-molecular graph analysis.
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Apr 01, 2024
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