An open-source alternative to rule-based atom-mapping tools found in ChemDraw. It uses attention-guided mechanisms from transformer models to accurately map atoms between reactants and products without labeled training data.
Tech Stack
PythonChemistry & Materials
Why rxnmapper?
• No labeled data required
• Superior performance on complex reactions
• Easy integration into Python pipelines
Limitations
• High memory usage for large models
• Requires deep learning dependencies
• Slow for real-time GUI mapping
3/5/2026
Last Update
73
Forks
4
Issues
MIT
License
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