deepmodeling / deepmodeling/unimol_tools

📚 Daily Automated arXiv Updates for AI4Chem Papers

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Description

Hi everyone 👋,

I’d like to share a small project I’ve been working on that might be useful for researchers and practitioners in AI for Chemistry (AI4Chem).

🚀 What is this project?

This project automatically searches arXiv every day using a curated set of AI4Chem-related keywords and continuously updates a list of newly published papers.
The goal is to help people stay up to date with the rapidly growing AI4Chem literature without manually checking arXiv.

🔍 Covered topics include (but are not limited to):

Molecular property prediction (QSAR, ADMET, etc.)

Molecular representation learning & GNNs

Molecule generation and optimization

Chemical reaction prediction & retrosynthesis

Drug discovery & protein–ligand interactions

Materials informatics

General machine learning for chemistry

✨ Key features:

✅ Daily automatic arXiv search and updates

✅ Keyword-based filtering tailored for AI4Chem

✅ Clean, continuously growing paper list

✅ Easy to extend with new keywords or categories

💡 Why I built this

AI4Chem papers are scattered across multiple arXiv categories (cs.LG, q-bio, physics.chem-ph, cond-mat, etc.).
This project aims to centralize discovery and reduce the overhead of literature tracking.

🔗 Project link: https://github.com/YuzeHao2023/daily-arxiv-ai4chem

👉 [Link to the repository here](https://github.com/YuzeHao2023/daily-arxiv-ai4chem)

Feedback, suggestions, or keyword contributions are very welcome!
If you find it useful, feel free to ⭐ star the repo or share it with others in the community 😊

Thanks for reading!

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