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  1. xtbscan2 xtbscan2 Public

    GUI tool to run scan and constrain optimization with xtb or uma/omol25.

    Python

  2. gauprep gauprep Public

    GUI tool to generate various Gaussian Job files

    Python

  3. grrm2xtb_cpp grrm2xtb_cpp Public

    Direct Interface to XTB and GRRM

    DIGITAL Command Language

  4. grrmsv grrmsv Public

    A GUI tool to visualize GRRM log files, only for single-log type jobs (MIN, SADDLE, FREQ, IRC, LUP).

    Python 3

  5. orcav orcav Public

    ORCA6 log viewer (GUI) in Python3

    Python

  6. RxnED RxnED Public

    Reaction Energy Diagram Drawing GUI Tool

    TypeScript