AspirinCode/papers-for-molecular-design-using-DL
List of Molecular and Material design using Generative AI and Deep Learning
This project is a curated list of research papers and resources focused on leveraging generative AI and deep learning for molecular and material design. It helps scientists and researchers in drug discovery and materials science stay updated on the latest advancements. You'll find categorized papers on molecular optimization, drug design, and material design using various AI techniques.
925 stars. Actively maintained with 12 commits in the last 30 days.
Use this if you are a research scientist or a medicinal chemist looking for a comprehensive overview of recent academic work on using AI to design new molecules or materials, including molecular conformations.
Not ideal if you are looking for an out-of-the-box software tool to run experiments or directly generate molecular structures.
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GPL-3.0
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Last pushed
Mar 13, 2026
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12
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