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aug-gen

Create arbitrarily diffuse (n-aug) Dunning basis sets

banditopt.jl

A Julia package for experimenting with Multi-Armed Bandits

dask-tutorial

Dask tutorial

esmethods

some implementations (not necessarily good ones!) of electronic structure methods in python3, Julia, and C++

fermi.jl

Fermi quantum chemistry program

fsmformat

jues.jl

Quantum chemical simulation in Julia

julia

The Julia Language: A fresh approach to technical computing.

lints.jl

Julia interface to LibInt

lints_cxx

C++ backend for Lints

methods

Methods in Quantum Chemistry using PSI4 interface

neci_stable

Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

optavc

Parallel finite difference optimization and hessians from arbitrary single point energies

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

psi4numpy

Combining Psi4 and Numpy for education and development.

psi4tolog

psi4 frequencies to log files

pyscf

Python module for quantum chemistry

scfxcel

summer-program

Repository for all summer program related programs

tblis

TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.

tblis.jl

Julia wrapper for TBLIS tensor contraction library.

www.julialang.org

Julia Project website

yggdrasil

Collection of builder repositories for BinaryBuilder.jl