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make fun
😎
make fun
179 followers · 30 following

Achievements

Achievement: Pair ExtraordinaireAchievement: Starstruckx3Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair ExtraordinaireAchievement: Starstruckx3Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Highlights

  • Pro

Organizations

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

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charnley/README.md
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- 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. rmsdrmsdPublic

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

    Python 577 121

  2. dotfilesdotfilesPublic

    My cross-platform environment setup. It is not overkill to have CI/CD test and Makefile for your configurations!

    Shell 7 3

  3. qmlcode/qmllibqmlcode/qmllibPublic

    Quantum machine learning (QML) molecular representations and core functions

    Python 25 5

  4. jensengroup/molcalcjensengroup/molcalcPublic

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

    HTML 94 21

  5. jensengroup/RegioSQMjensengroup/RegioSQMPublic

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

    Python 11 5

  6. ppqm/ppqmppqm/ppqmPublic

    Enable cheminformatics and quantum chemistry

    Python 78 17