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Retrosynthesis Prediction

  • AiZynthFinder: package for retrosynthesis planning.
    Code Last Commit Publication
  • BatGPT-Chem: A Foundation Large Model For Retrosynthesis Prediction
    Publication Link
  • https://github.com/gmum/RetroGFN: RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets
    Publication
  • SPARROW: synthetic cost-aware decision making in molecular design
    Code Last Commit Publication
  • UAlign: UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment
    Code Last Commit Publication

LLM

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