Stars
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
HORTON: Helpful Open-source Research TOol for N-fermion systems
The Ghent Quantum Chemistry Package for electronic structure calculations
Orbital optimized parameterized quantum circuits with auto-differentation.
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
Projectively-optimized geminal and "fancyCI" wavefunctions
A Wick theorem kernel written in C++ and interfaced with Python
Quantum Chemistry course resources available on github and other platforms
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.
A toolbox for solving phase factors in Quantum signal processing.
Ray is a unified framework for scaling AI and Python applications. Ray consists of a core distributed runtime and a set of AI Libraries for accelerating ML workloads.
System of polynomial equations solver with quantum annealing
Jupyter widget to interactively view molecular structures and trajectories
Efficient parallel quantum chemistry DMRG in MPO formalism
Open-source scientific and technical publishing system built on Pandoc.
Solver for Unconstrained Binary Quadratic Optimization (UBQO, BQO, QUBO) and Max 2-SAT, based on semidefinite relaxation with constraint learning.
A clean customizable documentation theme for Sphinx
The one-stop package for formulating, simulating, and solving problems in boolean and spin form
Statsmodels: statistical modeling and econometrics in Python
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
Qclib is a quantum computing library implemented using qiskit. The focus of qclib is on preparing quantum states, but it is not limited to that.