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Retrosynthesis Prediction

  • AiZynthFinder: package for retrosynthesis planning.
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  • BatGPT-Chem: A Foundation Large Model For Retrosynthesis Prediction

    Publication

  • DreamRetroer: data-driven group retrosynthesis planning model
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    Publication JIF

  • SPARROW: synthetic cost-aware decision making in molecular design
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    Publication JIF

  • UAlign: UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment
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  • https://github.com/gmum/RetroGFN: RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets

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LLM

  • SynAsk: a comprehensive organic chemistry domain-specific LLM platform

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