chemprop/chemprop

Quick Overview — What is this tool?

Message Passing Neural Networks for Molecule Property Prediction

This is the project's own description from GitHub — we show it as-is rather than inventing details.

What Can You Do With It?

• Download and run the complete source code on your own computer or server.
• Study how it works — every line of code is public.
• Use it in your own projects, subject to its license terms (see cost section below).
• Its GitHub topics describe its main areas: chemistrydrug-discoverymachine-learningneural-networks

Who Is This For?

This project is listed under Chemistry in Science & Engineering, a category made for students, researchers, engineers and curious minds.

Do I need coding knowledge? Coding Knowledge Recommended. (Estimate based on project type: A developer tool/library — setup usually follows the README with basic coding skills. Always confirm from the repo's README.)

Is It Free?

The source code is released under the NOASSERTION license. Open-source licenses like this usually allow free use, including commercial use — but always read the actual license file in the repository before relying on it. Note: the code being free does not mean hosted services, APIs or infrastructure around it are free.

Is It Actively Maintained?

Activity level: Very active · Last code update: 21 Oct 2026 · Created: 25 Jan 2019 · Open issues: 28

How to Get Started

1. Open the repository on GitHub and read its README — that is the official, verified setup guide.
2. To download the full code, generate this repository's public link below and run the clone command in a terminal:

Official links: Official Website ↗ · Releases ↗ · Documentation (README) ↗

We never publish installation steps we have not verified — the README above is the source of truth.

Repository Statistics

⭐ 2515 stars · 🍴 759 forks · 🐛 28 open issues · 💻 Language: Python · 📄 License: NOASSERTION · Default branch: main