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8000 charnley (Jimmy C. Kromann) · GitHub
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    charnley/README.md
                                                     _                                  
     _____     _ _        _ _ _         _   _      _| |            __ _                 
    |  |  |___| | |___   | | | |___ ___| |_| |    |_|_|_____    __|  |_|_____ _____ _ _ 
    |     | -_| | | . |  | | | | . |  _| | . |_   | | |     |  |  |  | |     |     | | |
    |__|__|___|_|_|___|  |_____|___|_| |_|___| |  |_| |_|_|_|  |_____|_|_|_|_|_|_|_|_  |
                                             |_|                                   |___|
    
    - I like Neovim and TMUX
    - I like Python and Fortran
    - I like Quantum Chemistry and Cheminformatics
    - I like Machine Learning and Data Science
    
    But mostly
    - I love Makefiles
    

    Pinned Loading

    1. rmsd rmsd Public

      Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

      Python 548 123

    2. qmlcode/qmllib qmlcode/qmllib Public

      Quantum machine learning (QML) molecular representations and core functions

      Fortran 23 4

    3. jensengroup/molcalc jensengroup/molcalc Public

      MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online

      HTML 89 21

    4. jensengroup/RegioSQM jensengroup/RegioSQM Public

      See http://dx.doi.org/10.1039/C7SC04156J for more details

      Python 11 6

    5. ppqm/ppqm ppqm/ppqm Public

      Enable cheminformatics and quantum chemistry

      Python 76 17

    6. dotfiles dotfiles Public

      My enviromental dotfiles

      Shell 6 3

    0