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Open source
24 alternativesMolecular design
A curated list of research on molecular and materials design using generative AI and deep learning.
About Molecular design
This repository is a list of research on molecular and material design using generative AI and deep learning. Associated topics include drug design, material design, and methods such as diffusion, GANs, VAEs, transformers, GNNs, and reinforcement learning. It contains a README, a Molecular_Optimization.md file, and figures, and is shared under a GPL-3.0 license.
Key features
- List of papers on generative AI for molecular design
- Includes material design and drug design research topics
- Tags methods including diffusion, GAN, VAE, and transformer
- References reinforcement learning and energy-based models
- Provides separate Molecular_Optimization.md file
- Shared as open source under GPL-3.0 license
Best for: Researchers and students tracking literature on generative AI for molecular and materials design.
Good for
- Open source under GPL-3.0 license
- Covers both molecular and material design literature
- Includes multiple generative methods in one list
Molecular design at a glance
- Category
- Research & Data › Academic Papers
- Type
- Open-source project
- Pricing
- Not confirmed. Check the site
- Open source
- Yes · Source code
- Language
- English
- Last checked
- Oct 5, 2026 · Online when checked
- Listed
- Oct 5, 2026
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