Welcome to Organic Synthesis AI Assistant! 🚀 This desktop application, built with Electron and ReactJS, is your intelligent lab partner for designing organic synthesis routes. 🎨🤖
- AI-Powered Design 🧠: Utilize advanced AI to generate and optimize synthesis routes for complex organic molecules.
- User-Friendly Interface 💻: Seamlessly explore synthesis plans in an intuitive, modern UI.
- Customizable Parameters 🛠️: Tailor the design process to meet your specific research needs.
- Offline Mode 🌐: Access the app and your saved projects even without an internet connection.
Note
We currently provide 6 models, namely, reaxys, reaxys_biocatalysis, cas, pistachio, pistachio_ringbreaker and bkms_metabolic. The request format is the same; simply replace the last part of the URL with the desired model name. For instance, the endpoint for the pistachio_ringbreaker model is http://0.0.0.0:9410/predictions/pistachio_ringbreaker. torchserve --start --foreground --ncs --model-store=mars --models reaxys=reaxys.mar
- Clone the Repository
git clone https://github.com/bruceunx/organic-synthesis-ai
cd organic-synthesis-ai/retrosyn- Then install the dependencies:
pnpm install
- Run the App
pnpm start- Launch the app and input the target molecule structure (SMILES, InChI, or graphical editor). 🖋️
- Configure synthesis parameters (e.g., reaction conditions, starting materials). 🔬
- Let the AI generate a synthesis plan. ⚙️
- Review, refine, and export the plan as a report. 📄
Contributions are welcome! 🌟
- Fork the repo. 🍴
- Create a branch for your feature. 🌿
- Submit a pull request. 🚀
- 📜 License
- This project is licensed under the MIT License.
Special thanks to the open-source community for providing invaluable tools and libraries that power this app. 🙌