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  1. autodE autodE Public

    automated reaction profile generation

    Python 166 51

  2. molfunc molfunc Public

    fast functionalisation of molecules

    C++ 34 8

  3. cgbind cgbind Public

    metallocage construction and binding affinity calculations

    Python 13 3

  4. resources resources Public

    References, presentations and other resources

    Python 15 14

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