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make fun
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make fun
181 followers · 29 following

Achievements

Achievement: Pull Sharkx3Achievement: Pair ExtraordinaireAchievement: Starstruckx3Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx3Achievement: Pair ExtraordinaireAchievement: Starstruckx3Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: 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 and Dotfiles

Pinned Loading

  1. dotfiles dotfiles Public

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

    Shell 9 3

  2. rmsd rmsd Public

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

    Python 582 120

  3. qmlcode/qmllib qmlcode/qmllib Public

    Quantum machine learning (QML) molecular representations and core functions

    Python 28 5

  4. jensengroup/molcalc jensengroup/molcalc Public

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

    HTML 96 21

  5. ppqm/ppqm ppqm/ppqm Public

    Enable cheminformatics and quantum chemistry

    Python 82 17

  6. rdkit/rdkit-js rdkit/rdkit-js Public

    A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

    SCSS 257 47