Notebook-integrated tools for molecular simulation and visualization

Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)

PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry

Scientific Computing for Chemists is a free text for teaching basic computing skills to chemists using Python, Jupyter notebooks, and the other Python packages. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, nmrglue, SymPy, scikit-image, and scikit-learn.

Jupyter Widgets to interact with molecular datasets.

Custom notebook extension that utilizes a new domain specific language, Chemical Markdown Language (CMDL), to assist in documentation of experiments for small molecule chemistry and polymer chemistry.

Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.github.io/teaching.html)

Jupyter notebooks and data for incorporating programming into chemistry courses

Electronic lab notebook for organic chemistry

Tutorial notebooks and example scripts made with Tangelo. Any Tangelo user can suggest content and showcase their work, either by pushing on this repo or linking their work / project :)

A Jupyter Notebook collection covering all aspects of digital chemistry

Open Archive of Educational Chemistry Notebooks

Jupyter notebooks and data used for research on the vibronic structure of Heptazine.

Notebooks used for content of youtube @chemicalstories channel videos

Jupyter notebooks Prototypes for integrating semantics into NFID4Chem

A collection of tutorial notebooks to get chemistry students to try out Python programming.

Set of short tutorials for chemists, physicists & materials researchers on the basics of python3 using notebooks