NMRInversions.jl

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Runs on Linux.

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NMRInversions.jl is ranked #20 of 32 in chemistry simulation software on The Geeks Club. It runs on Linux.

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The record

Purpose: NMRInversions.jl performs numerical inversions for one- and two-dimensional NMR relaxation and diffusion measurements.
Data processing: It imports data from various NMR instrument formats, phase-corrects raw data, fits multi-exponential curves, and interactively visualizes results.
Intended users: The package is aimed at NMR users who may not know Julia or programming and offers a simple interface for everyday data processing.
Customization: Users can retain control over each step of the process as they gain experience.
Use cases: The package addresses relaxation and diffusion measurements used to study materials including porous rocks, catalyst supports, and biological tissues.
Methods: The package uses numerical inversion methods to estimate relaxation-time or diffusion-coefficient distributions from experimental data.
Harmonic inversion limit: The paper states that harmonic inversion used in NMR spectroscopy was not implemented at the time of publication.
Reproducibility: The authors describe accessible open-source algorithms as important for improving reproducibility in scientific research.
Support: The repository asks users with problems or questions not answered in the documentation to submit an issue.
License: The GitHub repository identifies the software as MIT licensed.
Publication: The package was described in a Journal of Open Source Software paper published on May 23, 2025.
Authors: The paper names Aristarchos Mavridis and Carmine D’Agostino as authors.

Where it ranks on The Geeks Club

Best Chemistry Simulation Software in 2026#20 of 32

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Sources

github.com/aris-mav/NMRInversions.jl· checked 4 Oct 2026
theoj.org/joss-papers/joss.07745/10.21105.joss.07· checked 4 Oct 2026