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@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 Public

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

    Python 248 75

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

    HTML 54 12

  3. QML: Quantum Machine Learning

    Python 152 63

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

    Python 9 5

  5. Enable cheminformatics and quantum chemistry

    Python 5 1

228 contributions in the last year

Sep Oct Nov Dec Jan Feb Mar Apr May Jun Jul Aug Sep Mon Wed Fri
Activity overview
Contributed to ppqm/ppqm, jensengroup/molcalc, charnley/rmsd and 5 other repositories

Contribution activity

September 2021

Created 1 commit in 1 repository

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