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JAX accelerated Quantum Monte Carlo

Python 114 21 Updated Jun 17, 2026

Type annotations and runtime checking for shape and dtype of JAX/NumPy/PyTorch/etc. arrays. https://docs.kidger.site/jaxtyping/

Python 1,830 90 Updated Jun 13, 2026

Elegant easy-to-use neural networks + scientific computing in JAX. https://docs.kidger.site/equinox/

Python 2,907 202 Updated Jun 13, 2026

Linear solvers in JAX and Equinox. https://docs.kidger.site/lineax

Python 556 40 Updated Jun 18, 2026

The open source coding agent.

TypeScript 176,029 21,417 Updated Jun 18, 2026

PReconditioned Iterative MultiMethod Eigensolver for solving symmetric/Hermitian eigenvalue problems and singular value problems

C 153 40 Updated Jun 9, 2026

A modern ebook manager and reader with sync and backup capacities for Windows, macOS, Linux, Android, iOS and Web

JavaScript 27,234 2,015 Updated Jun 17, 2026

A plugin to use Nvidia GPU in PySCF package

Cuda 317 65 Updated Jun 17, 2026

Python module for quantum chemistry

Python 1,612 700 Updated Jun 17, 2026

A python library for quantum information and many-body calculations including tensor networks.

Python 643 147 Updated Jun 13, 2026

Coupled-cluster package written in Python.

Fortran 50 9 Updated May 28, 2026
C++ 31 23 Updated Jun 17, 2026

Repo for paper: stochastic tensor contraction for quantum chemistry

Python 22 4 Updated Mar 7, 2026

NumPy & SciPy for GPU

Python 11,003 1,040 Updated Jun 18, 2026

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

Python 845 165 Updated May 21, 2026

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…

C++ 391 150 Updated Jun 18, 2026

Supporting code for the papers "Autoregressive neural quantum states with quantum number symmetries" and "Neural quantum states and peaked molecular wave functions: curse or blessing?"

Python 6 Updated Feb 7, 2025

Neural-Network Quantum States for Quantum Chemistry

Python 15 4 Updated Jun 11, 2026

A minimal block sparse symmetric and fermionic tensor python library

Python 34 3 Updated Jun 9, 2026

An Efficient Framework for Neural Network Quantum States in ab-initio Quantum Chemistry

C++ 10 Updated May 16, 2026

High-performance automatic differentiation of LLVM and MLIR.

LLVM 1,625 170 Updated Jun 18, 2026

Source for The Tensor Network open-source review article

TeX 180 60 Updated Mar 25, 2026

OptimKit: A blissfully ignorant Julia package for gradient optimization

Julia 76 22 Updated Jun 9, 2026

Efficient parallel quantum chemistry DMRG in MPO formalism

C++ 117 33 Updated May 29, 2026

A Julia package for optimal quantum chemistry Hamiltonian construction in matrix product operator (MPO) form.

Julia 10 1 Updated Oct 8, 2025

TREX I/O library

C 70 23 Updated Jun 16, 2026

PvZ2 Gardendless Official Website | A rewritten Plants vs Zombies 2 PC port

Vue 1,387 111 Updated Jun 18, 2026

nanobind: tiny and efficient C++/Python bindings

C++ 3,573 311 Updated Jun 18, 2026

Orbital transfer and automatic multi-reference calculation for quantum chemistry

Fortran 73 7 Updated Jun 16, 2026

A fast & densely stored hashmap and hashset based on robin-hood backward shift deletion

C++ 1,410 104 Updated Feb 4, 2026
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