ngmsonn/Awesome_Drug_Discovery_ML
A curated list of awesome lists on Machine Learning for Drug Discovery
This is a curated collection of resources that helps medicinal chemists and computational biologists navigate the complex world of modern drug discovery. It compiles research papers, GitHub projects, and videos on topics like molecular representation, drug-target interaction prediction, and generative molecular design. Drug discovery scientists can use this as a starting point to explore advanced techniques for identifying potential drug candidates and understanding their behavior.
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Use this if you are a researcher in drug discovery looking for state-of-the-art machine learning methods to accelerate your work, from initial compound design to understanding drug interactions.
Not ideal if you are looking for an out-of-the-box software tool to directly run experiments, as this is primarily a directory of academic and open-source resources.
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Jan 13, 2025
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