amorehead/awesome-molecular-generation

Awesome papers related to generative molecular modeling and design.

What it solves

The project is a curated list (often called an "awesome list") of research papers on generative molecular modeling and design. Researchers need a single place to find recent work on generating molecules, proteins, antibodies, and other biomolecules, with links to papers and code.

How it works

The README is a list of paper entries organized by year, starting with a survey and then 2025 down to 2017. Each entry shows the venue (e.g., arXiv, ICLR) and year, the paper title, and links to the paper and, when available, the code repository. Contributions are welcome via pull requests.

Who it's for

Researchers, students, and practitioners in computational biology, cheminformatics, and drug discovery who want to keep up with generative models for molecules and proteins.

Highlights

  • Covers papers from 2017 through 2025, plus a survey
  • Includes links to code for many papers
  • Contributions welcome; community-maintained
  • Topics include drug design, protein folding, antibody design, and diffusion-based generation

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