Stars
Ab initio electronic structure beyond density function theory
Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable. https://docs.kidger.site/diffrax/
C++ library for Exact Diagonalization of quantum many-body systems
Nonlinear optimisation (root-finding, least squares, ...) in JAX+Equinox. https://docs.kidger.site/optimistix/
A python library for quantum information and many-body calculations including tensor networks.
Type annotations and runtime checking for shape and dtype of JAX/NumPy/PyTorch/etc. arrays. https://docs.kidger.site/jaxtyping/
Linear solvers in JAX and Equinox. https://docs.kidger.site/lineax
A high-performance framework for solving phonon and electron Boltzmann equations
Exchange correlation functionals translated from libxc to jax
Taylor-Root Expansion time-dependent Variational Monte Carlo
A Toolbox for Research on Interacting Quantum Systems. Supported by the Flatiron Institute.
Optax is a gradient processing and optimization library for JAX.
Multi-language suite for high-performance solvers of differential equations and scientific machine learning (SciML) components. Ordinary differential equations (ODEs), stochastic differential equat…
PyTorch Extension Library of Optimized Graph Cluster Algorithms
Graph Neural Network Library for PyTorch
BlackJAX is a Bayesian Inference library designed for ease of use, speed and modularity.
Elegant easy-to-use neural networks + scientific computing in JAX. https://docs.kidger.site/equinox/
KErnel OPerationS, on CPUs and GPUs, with autodiff and without memory overflows
JAX bindings to the Flatiron Institute Non-uniform Fast Fourier Transform (FINUFFT) library
Pytorch wrappers for the FINUFFT library
GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.
Unbearably fast near-real-time pure-Python runtime-static type-checker.
Home for cuQuantum Python & NVIDIA cuQuantum SDK C++ samples
C++ and Python support for the CUDA Quantum programming model for heterogeneous quantum-classical workflows