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  1. reymond-group/CASP-and-dataset-performance reymond-group/CASP-and-dataset-performance Public

    Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.

    Jupyter Notebook 45 15

  2. reymond-group/RAscore reymond-group/RAscore Public

    Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning

    Python 79 30

  3. reymond-group/RingBreaker reymond-group/RingBreaker Public

    Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring systems. The code does not support full tree search and is intend…

    Python 11 5

  4. aizynthfinder aizynthfinder Public

    Forked from MolecularAI/aizynthfinder

    A tool for retrosynthetic planning

    Python