Showcase IsoSolve
This repository employs NMR log echo train inversion using Scipy optimization with Tikhonov regularization, which adds a penalty term equal to the sum of the squares of the parameters. This project has both a Jupyter Notebook as well as a Geolog project.
All my results about chemical shift calculations including jupyter Notebooks for ab- initio structure optimisation and chemical shift calculation
Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks, and the other Python software. This textbook teaches a variety of Python packages including NumPy, SciPy, matplotlib, pandas, seaborn, nmrglue, SymPy, scikit-image, scikit-learn, and others.
Add a description, image, and links to the nmr topic page so that developers can more easily learn about it.
To associate your repository with the nmr topic, visit your repo's landing page and select "manage topics."