A visual, example-driven guide to Claude Code — from basic concepts to advanced agents, with copy-paste templates that bring immediate value.

Enhances Tesseract OCR output using LLMs (local or API) for error correction, smart chunking, and markdown formatting of scanned PDFs

The Destructive Command Guard (dcg) is for blocking dangerous git and shell commands from being executed by agents.

An open access book on scientific visualization using python and matplotlib

A reactive notebook for Python — run reproducible experiments, query with SQL, execute as a script, deploy as an app, and version with git. Stored as pure Python. All in a modern, AI-native editor.

gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

Exercism exercises in Python.

scikit-learn classes for molecular vectorization using RDKit

Python materials for the Oxford Computational Biology graduate course

the very good free whiteboard tldraw in the jupyter output

An interoperable Python framework for biomolecular simulation.

Efficiently handle multiple simulations using bash

OFFICIAL: AnteChamber PYthon Parser interfacE

An example on how to customize Atomify examples

Resources, Code, and Other things I use to teach Cheminformatics.

A self-paced course to learn Rust, one exercise at a time.

Interactive data visualizations and plotting in Julia

🔥 Machine Learning Notebooks