All of my wallpapers in one repo.

Website version of Christopher Manson's 1985 book, Maze: Solve the World's Most Challenging Puzzle

ALCHEMI Toolkit-Ops is a collection of optimized batch kernels to accelerate computational chemistry and material science workflows.

A sleek and minimal desktop shell thoughtfully crafted for Wayland.

A scrollable-tiling Wayland compositor.

Beautiful, Modern & Opinionated Linux

Development and testing the HybridTopologyFactory from OpenFE to improve dummy-core interactions

Public repository for Agent Skills

Modular SOMD2 processing workflows.

ML potentials via transfer learning

A package for training and patching EMLE models, with routines for fitting LJ parameters.

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

Open source book dedicated to helping you to make the best possible sourdough bread at home.

AI-powered ab initio biomolecular dynamics simulation

Hybrid ML/MM free energy simulations.

Machine learning interatomic potential for condensed-phase reactive chemistry

A comprehensive toolkit for predicting free energies

Endstate corrections from MM to QML potential

Fully documented source code for the cassette version of the classic game Elite on the BBC Micro

Automated Adaptive Absolute alchemical Free Energy calculator

Missing firmware for Lenovo Thinkpad hardware

Emulator configurator for Steam Deck

Supporting Information for "electrostatic embedding of machine learning potentials"

ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.

The Open Free Energy toolkit

A cheatsheet of modern C++ language and library features.

Full automation of relative protein-ligand binding free energy calculations in GROMACS

An Access, Accounting and Authorisation (Identity) Infrastructure for the Cloud

Personal notes and layouts for the Kinesis Advantage 2 keyboard.