AiZynthFinder
github.com/molecularai/aizynthfinderAstraZeneca's industrial-grade retrosynthetic planning tool using MCTS to recursively decompose molecules into purchasable precursors, with multi-step route scoring and support for custom one-step models (v4.0, 2024)
Sourced from
- Awesome Python Chemistry — github.com/molecularai/aizynthfinder
- Awesome AI for Science — github.com/molecularai/aizynthfinder
- GitHub — github.com/molecularai/aizynthfinder
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