Rich is a Python library for rich text and beautiful formatting in the terminal.

A community-maintained Python framework for creating mathematical animations.

Let us control diffusion models!

The fundamental package for scientific computing with Python.

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.

Python package built to ease deep learning on graph, on top of existing DL frameworks.

Clone of the Age of Empires II engine 🚀

A Python command-line and library that draws basic graphs in the terminal

Messaging library for Python.

FAIR Chemistry's library of machine learning methods for chemistry

Master the fundamentals of machine learning, deep learning, and mathematical optimization by building key concepts and models from scratch using Python.

A deep learning package for many-body potential energy representation and molecular dynamics

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…

Debugging-friendly exceptions for Python

A modular framework for neural networks with Euclidean symmetry

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Intuitive, easy CLIs based on python type hints.

A simple tutorial about effectively using pdb

NequIP is a code for building E(3)-equivariant interatomic potentials

Pythonic tool for orchestrating machine-learning/high performance/quantum-computing workflows in heterogeneous compute environments.

Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation

An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations

code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

ORB forcefield models from Orbital Materials

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

Phonon code

Bayesian Optimization and Design of Experiments

Kosmos: An AI Scientist for Autonomous Discovery - An implementation and adaptation to be driven by Claude Code or API - Based on the Kosmos AI Paper - https://arxiv.org/abs/2511.02824

A High-Level Abstraction Framework for Quantum Algorithms