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GeigerJ2/README.md

Cheers, mate 🍻

And welcome to my GitHub profile 👋

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  1. plugin-aiida plugin-aiida Public

    Aliases for verdi, the command-line interface of AiiDA.

    Shell 1

  2. sklwrap sklwrap Public

    Some wrapper functions to quickly use and evaluate sklearn predictors.

    Python 1

  3. astronvim_config astronvim_config Public template

    Forked from AstroNvim/user_example

    AstroNvim configuration.

    Lua

  4. cv cv Public

    TeX

  5. basf/precomplex_generator basf/precomplex_generator Public

    The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.

    Python 7 5

  6. LopezGroup-ICIQ/aiida-cattools LopezGroup-ICIQ/aiida-cattools Public

    AiiDA tools for use in the computational heterogeneous catalysis group of Prof. Nuria Lopez at the Institute of Chemical Research of Catalonia (ICIQ).

    Python