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@chemistry-scripts

chemistry-scripts

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  1. cluster-scripts cluster-scripts Public

    A collection of various scripts for submitting computational chemistry jobs to clusters

    Python 2

  2. homebrew-chemistry homebrew-chemistry Public

    Home-brew tap for some Chemistry open source programs

    Ruby 1

  3. homebrew-chemistry-data homebrew-chemistry-data Public

    Data used in homebrew-chemistry

    1

  4. esi-scripts esi-scripts Public

    Scripts to quickly extract ESI from Comp Chem output files

    Python 1

  5. computations-scripts computations-scripts Public

    Various scripts useful in computational studies in molecular sciences

    Python 1 1

  6. excel2ris excel2ris Public

    Python 1

Repositories

Showing 10 of 12 repositories
  • cluster-scripts Public

    A collection of various scripts for submitting computational chemistry jobs to clusters

    chemistry-scripts/cluster-scripts’s past year of commit activity
    Python 2 0 0 0 Updated Jul 25, 2024
  • pythonplotter Public

    Interface to plot whatever you need to

    chemistry-scripts/pythonplotter’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jul 5, 2024
  • gibbscorrections Public
    chemistry-scripts/gibbscorrections’s past year of commit activity
    Python 1 0 0 0 Updated Mar 12, 2024
  • computations-scripts Public

    Various scripts useful in computational studies in molecular sciences

    chemistry-scripts/computations-scripts’s past year of commit activity
    Python 1 MIT 1 0 0 Updated Mar 12, 2024
  • esi-scripts Public

    Scripts to quickly extract ESI from Comp Chem output files

    chemistry-scripts/esi-scripts’s past year of commit activity
    Python 1 0 0 0 Updated Mar 7, 2024
  • auto_vtna Public
    chemistry-scripts/auto_vtna’s past year of commit activity
    Python 0 0 0 0 Updated Nov 24, 2021
  • cclib Public Forked from cclib/cclib

    Parsers and algorithms for computational chemistry logfiles

    chemistry-scripts/cclib’s past year of commit activity
    Python 0 BSD-3-Clause 207 0 0 Updated Jan 5, 2021
  • chemlearning_data Public

    Data manipulation for use in Machine Learning

    chemistry-scripts/chemlearning_data’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Apr 23, 2020
  • RPiSpectrometer Public Forked from tonbut/RPiSpectrometer

    Spectrometer for Raspberry Pi using a Pi Camera

    chemistry-scripts/RPiSpectrometer’s past year of commit activity
    Python 0 MIT 22 0 0 Updated Sep 25, 2018
  • excel2ris Public
    chemistry-scripts/excel2ris’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Jul 3, 2018
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