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  1. DecimerServerAPI DecimerServerAPI Public

    PureBasic 1

  2. chem-rdf-fixer chem-rdf-fixer Public

    Fix for erroneous chemical reaction RDF files, as well as conversion to csv

    Python 3

  3. Yield_curation_USPTO Yield_curation_USPTO Public

    short scripts to curate the somewhat messy text based yield columns in the available curated UPTSO rsmi/csv files.

    Python 1

  4. RxnTransformDescriptors RxnTransformDescriptors Public

    Python code for reaction transform descriptors (TDs)

    Python 3

  5. ChemDash ChemDash Public

    Proof of Concept for web based chemistry GUI to work with small molecules

    Python 2

  6. caveman-comparison caveman-comparison Public

    a personal, subjective, overview of some recent caveman skills