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adg

A Python package to generate and evaluate many-body diagrams

amdmemorytweak

Read and modify memory timings on the fly

ansible-vbox-vagrant-kubernetes

Building a Kubernetes Cluster with Vagrant and Ansible

arpack-ng

Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.

arrow

Apache Arrow is a cross-language development platform for in-memory data. It specifies a standardized language-independent columnar memory format for flat and hierarchical data, organized for efficient analytic operations on modern hardware. It also provides computational libraries and zero-copy streaming messaging and interprocess communication. Languages currently supported include C, C++, Java, JavaScript, Python, and Ruby.

azure-locust

Distributed load tests on Azure

basis_set_exchange

A repository for quantum chemistry basis sets

blaze

NumPy and Pandas interface to Big Data

cholespy

An easily integrable Cholesky solver on CPU and GPU

cloud-pak-for-data-examples

Samples to help customers modernize Data & AI on Cloud Pak for Data

cnpy

library to read/write .npy and .npz files in C/C++

coupled-cluster-quadratic-response-theory

delocate

Find and copy needed dynamic libraries into python wheels

dev-test-python

developer-roadmap-guide-2018

docker-ngrok

Expose a local web server or docker environment to the internet

factory_boy

A test fixtures replacement for Python

feynmanmf.asy

fpdb-for-osx

Free Poker DataBase development, with a focus on OSX.

gauxc

GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.

gpt-investor

integratorxx

libchol

a library for computing cholesky decomposed 2-electron integrals in QC

libgnme

A C++ library for evaluating non-orthogonal matrix elements in electronic structure

libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

libintx

fork of ValeevGroup's libintx

libnpy

C++ library for reading and writing of numpy's .npy files

libtensor

C++ library for tensor computations

lightspeed

Lightspeed: An ultralight C++/Python library for electronic structure theory development

lloyd

Constrained Lloyd Iteration for distributing 2D points