Skip to content
View charnley's full-sized avatar
157 followers · 20 following

Achievements

Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault ContributorAchievement: Starstruckx2

Achievements

Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault ContributorAchievement: Starstruckx2

Highlights

  • Pro

Organizations

@jensengroup @Novartis @ppqm @steinmanngroup @gms-bbg @qmlcode

Block or report charnley

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
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 504 115

  2. qmlcode/qmllib qmlcode/qmllib Public

    Quantum machine learning (QML) Core Fortran Functions

    Fortran 9 1

  3. jensengroup/molcalc jensengroup/molcalc Public

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

    HTML 87 20

  4. jensengroup/RegioSQM jensengroup/RegioSQM Public

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

    Python 10 6

  5. ppqm/ppqm ppqm/ppqm Public

    Enable cheminformatics and quantum chemistry

    Python 72 18

  6. dotfiles dotfiles Public

    My enviromental dotfiles

    Shell 4 3