Automatically prepare structures from the PDB for molecular dynamics simulation

The agent that grows with you

Agentic framework for physics

A Python framework for GPU-accelerated simulation, robotics, and machine learning.

aider is AI pair programming in your terminal

AI agents running research on single-GPU nanochat training automatically

Protein-ligand unified metrics benchmark (PLUMB): dataset to benchmark force field and free energy methods

Infrastructure to implement and train NNPs

A stylish terminal UI for Claude Code

The AI Compute Platform for frontier teams. SkyPilot turns fragmented AI compute into one AI supercomputer, so frontier AI teams build custom intelligence faster.

Copper is an operating system for robots - build, run, and replay your entire robot deterministically.

2D and 3D physics engines focused on performance.

Robust Equilibration Detection

Hyprland is an independent, highly customizable, dynamic tiling Wayland compositor that doesn't sacrifice on its looks.

Ian Kenney's neovim configuration

🎨 Light & Dark Vim color schemes inspired by Google's Material Design

A simple, retro theme for Hugo

🔯 Modern, batteries-included Hugo theme for creating beautiful doc, blog and static websites

Simple blogging with static Markdown files

OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method

Deep learning for molecules and materials book

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

Molecular bloom filter tool

Molecular filtering for drug discovery.

experimental toybox