REINVENT4
by MolecularAI · GitHub
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
# ai# astrazeneca# cheminformatics# chemistry
⭐ Stars
820
🍴 Forks
223
📜 License
Apache-2.0
Commercial use OK📅 Created
2023
🔄 Last commit
28 days ago
🏷️ Category
ai
💻 Language
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📈 Star history
2026-07-202026-07-21
📄 About
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
❓ Frequently asked questions
What is REINVENT4?
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Is REINVENT4 open source?
REINVENT4 is an open-source project. It is released under the Apache-2.0 license.
Is REINVENT4 free?
Yes. REINVENT4 is free and open source — you can use, modify and self-host it.
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