The electronic structure package for quantum computers.

Schrödinger and Schrödinger-Feynman simulators for quantum circuits.

The Pants Build System

Selects tests affected by changed files. Executes the right tests first. Continuous test runner when used with pytest-watch.

AlphaFold 3 inference pipeline.

Tensors and Dynamic neural networks in Python with strong GPU acceleration

ML-guided enzyme engineering

Implementation of Alphafold 3 from Google Deepmind in Pytorch

A comprehensive library for computational molecular biology

⚡ Flashbax: Accelerated Replay Buffers in JAX

🏛️A research-friendly codebase for fast experimentation of single-agent reinforcement learning in JAX • End-to-End JAX RL

OpenSpiel is a collection of environments and algorithms for research in general reinforcement learning and search/planning in games.