A multiplexer-native power terminal for your local and remote sessions. Supports tmux, Herdr, and Zellij, with built-in git worktree management

A plugin to use Nvidia GPU in PySCF package

Community-maintained Boltz fork with bug fixes, broader compatibility, and CI.

Light-weight tight-binding framework

Use Claude Code with (much cheaper) DeepSeek models

Desktop app to manage markdown knowledge bases

Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).

Git versioning used in Codacy

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

Fast Markdown linter and formatter written in Rust

Github artifact cache server to be used locally

⚡ A fast Git hook manager written in Rust, designed as a drop-in alternative to pre-commit, reimagined.

Approximate transition state geometries from geodesics on ML PES.

BoltzGen: Toward Universal Binder Design

Hansen Solubility Parameters in Python.

Evaluating how well agents use computational chemistry tools through MCP

Public FSM implementation with support for ML-based potential energy surfaces

An extremely fast Python type checker and language server, written in Rust.

Slides + Iframe = sliFrame

Git blame for file trees

Generate JSON diffs between pixi lockfiles

A markdown terminal slideshow tool

Convert `.xyz` to `.pdb` (guess residues).

Lightweight plotting to the terminal. 4x resolution via Unicode.

The ultimate cross-platform, bash-like shell

Cookiecutter for setting up python projects with pixi that just work

A decorator to aid in annotating logs for easier reading and searching