chemprop
by chemprop · GitHub
Message Passing Neural Networks for Molecule Property Prediction
⭐ Stars
2.4k
🍴 Forks
749
🔥 Trending
+3 this week
📜 License
—
License not specified📅 Created
2019
🔄 Last commit
5 days ago
🏷️ Category
chemistry
💻 Language
You maintain this project?
Claim its page: indexed whatever its rank, translated into six languages, and enriched with what you write yourself.
📈 Star history
2026-07-072026-07-22
📄 About
Message Passing Neural Networks for Molecule Property Prediction
❓ Frequently asked questions
What is chemprop?
Message Passing Neural Networks for Molecule Property Prediction
Is chemprop open source?
chemprop is an open-source project.
Is chemprop free?
Yes. chemprop is free and open source — you can use, modify and self-host it.
🏅 Maintainer of this project?
Add this live badge to your README — your GitHub stars and directory rank, refreshed daily.
[](https://opensourceai.tech/project/chemprop-chemprop.html)
🧬 Related projects🧬 View the DNA map →
awesome-python-chemistry
A curated list of Python packages related to chemistry
★ 1.4k · atomistic-simulations
REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker desi…
★ 821 · ai
DeepLearningExamples
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with repr…
★ 14.8k · computer-vision