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2019-ncov-research

dna-bases

dna-bases-new

dshf

einsumsincpp

Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.

fieldgoal

Sadly, Georgia Tech has been getting it's field goals blocked too often this year... Hopefully, this computer program will help

fmm

An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),

hartree-focks

The many Hartree-Focks I have Coded

hydrogen_adder

Adds hydrogens to N and C terminus of cleaved amino acid sequences from PDB (in xyz format)... Assuming all other hydrogens are there

juliachem.jl

A research-grade quantum chemistry program written in Julia

macosx-sdks

A collection of those pesky SDK folders: MacOSX10.1.5.sdk thru MacOSX10.15.sdk

mario

mysite

Source Code for www.thwcorona.com (Code By: Andy Jiang and Paula Punmaneeluk)

planets

pnab

propro

Protein Processing Code

proteins

psi4

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

psi4_mbis

Psi4 plugin implementation of MBIS in C++

psi4numpy

Combining Psi4 and Numpy for education and development.

psicode-hugo-website

soon to be replacement for psicode.org

psicon2020

materials from PsiCon 2020

pycc

PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.

reinvent

reinventcommunity

scipy-2022-swag

attempt at swag design for scipy 2022

sherrill

sherrill-covid19

summer-program

Repository for all summer program related programs

tensorlet_in_c_c_plusplus

J. Huang, L. Kong, X.-Y. Liu, W. Qu and G. Chen. A C++ library for tensor decomposition. International Performance Computing and Communications Conference (IPCCC), 2019. A C/C++ library for highly efficient and scalable tensor decompositions.