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146 followers · 15 following

Achievements

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

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

Highlights

  • Pro

Organizations

@jensengroup @Novartis @ppqm @steinmanngroup @gms-bbg @qmlcode
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charnley/README.md 
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- I like VIM 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

  1. rmsd rmsd Public

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

    Python 466 115

  2. qmlcode/qmllib qmlcode/qmllib Public

    Quantum machine learning (QML) Core Fortran Functions

    Fortran 6 1

  3. jensengroup/molcalc jensengroup/molcalc Public

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

    HTML 81 21

  4. jensengroup/RegioSQM jensengroup/RegioSQM Public

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

    Python 9 6

  5. ppqm/ppqm ppqm/ppqm Public

    Enable cheminformatics and quantum chemistry

    Python 69 18

  6. dotfiles dotfiles Public

    My enviromental dotfiles

    Shell 4 3