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NMRInversions.jl vs Polychem

Both stand on chemistry simulation software. Which one you can start free with, which one lets you read the code, and what each costs once you pay.

NMRInversions.jl

Free plan Linux

NMRInversions.jl offers an accessible workflow for NMR inversion, correction, fitting, and visualization. Its Linux availability and stated harmonic-inversion limitation define where it fits.

Visit NMRInversions.jl

Polychem

Free plan MacWindows

Choose Polychem if you need a broad chemistry teaching resource with simulations and tools for building and managing assessments. Check its stated Mac OS support before choosing it for a Mac, and consider the $295, paid once site licence if you need that plan.

Visit Polychem

The facts

NMRInversions.jlPolychem
Free planYesYes
Open sourceNot publishedNot published
Runs onLinuxMac, Windows
Lowest paid planNot publishedSite licence: $295, paid once
Plans publishedNone1
MakerNot publishedNot published
Websitearis-mav.github.iopolychem.org
On chemistry simulation software#20 of 33#16 of 33

NMRInversions.jl: what it does well

  • Free Linux package
  • Imports multiple instrument formats
  • Provides interactive result visualization
  • Supports relaxation and diffusion analyses
  • MIT licensed

What to know first

  • Linux platform listed
  • Harmonic inversion was not implemented
  • Documentation may not answer every question

Polychem: what it does well

  • Includes notes, questions, simulations, activities, games, demonstrations, and videos.
  • Teachers can create and print tests with model answers.
  • Notes and examination questions can be edited.
  • Most activity marks can be recorded with names, dates, and times.

What to know first

  • The download is more than 280 MB zipped and about 500 MB unzipped.
  • The free copy needs internet access to initialize at each use.
  • The download page describes Mac support only up to Mac OS 10.6.
  • Network access may slow loading and digital video.

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