amjames Goto Github PK

ambit

C++ library for the implementation of tensor product calculations through a clean, concise user interface.

artifact_hub_testing

test repo for artifact hub github endpoint

auctex-latexmk

This library adds LatexMk support to AUCTeX.

bash-git-prompt

An informative and fancy bash prompt for Git users

bibtex-js

Automatically exported from code.google.com/p/bibtex-js

boost_export_example

Example of python module written in c++ using boost-python

bsr_matmul_blog

bsr-dense matmul benchmarks data and scripts

ccreorganization

cmake-ide

Use Emacs as a C/C++ IDE

cookiecutter-compchem

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

dacite

Simple creation of data classes from dictionaries.

davidson

dotfiles

Spent a long time setting things up the way I like.

neg-index-assert-investigate

notes

My notes about things

optrotvib

plotly_tddft

polyradical_freeze_scheme

programmingprojects

C++ Programming Tutorial in Chemistry

psi4

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

psi4numpy

Combining Psi4 and Numpy for education and development.

psi4pasture

deprecated modules still buildable upon request

py_impl-benchmark-adaptive_avg_pool2d

pybind11-tech-share

Slides/Examples from Tech Share about pybind11 - May 23, 2022

python-novice-inflammation

Software Carpentry introduction to Python for novices using inflammation data.

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

qcengine

A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.

qhub

QHub deployment tool

qm_2017_sss_team2

quansight-website

💻 Source code for Quansight Consulting and Labs websites