Irena in Python

React component to display and process nuclear magnetic resonance (NMR) spectra.

Animation engine for explanatory math videos

CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.

Algorithms to analyze and predict molecular structures

Graph-neural-network predictions of solid-state NMR parameters in silica from spherical tensor decomposition, J. Chem. Phys. 163, 024118 (2025)

The official codebase of the paper "Deep Supramolecular Language Processing for Co-crystal Prediction"

A curated list of Python packages related to chemistry

⚗ A package useful for chemistry written in Python

🔺 Ternary plotting library for python with matplotlib

Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.

Computational software for solving the Madelung Equations. A project made for APM 598/MAT 494, Mathematics of Quantum Mechanics, at ASU

Code and ressources for genome analysis of the brown hagfish and vertebrate genome duplications

VNC client web application

📜 A Cheat-Sheet Collection from the WWW

📝 A nicely formatted LaTeX preprint template

LaTeX.css is a CSS library that makes your website look like a LaTeX document

A JupyterLab theme extension which provides the Purple Please theme.

Quantum Chemistry Web Platform

🔉 Play and Record Sound with Python 🐍

How to convert LaTeX to DOCX (and everything else)

RustDesk Server Program