Name: Shiv Upadhyay
Type: User
Bio: Current: Postdoctoral Scholar | University of Washington | Xiaosong Li Lab Former: Graduate Student | University of Pittsburgh | Kenneth D. Jordan Lab
Twitter: shivupa
Location: Seattle, WA
Blog: shivupa.github.io
naive-hci
A naive implementation of heat-bath selected CI
nptmc
numerical_methods_release
nwchem-wiki
NWChem Documentation
obarasaika
Obara-Saika molecular integral code sandbox.
openqcschema
Periodic table, physical constants, and molecule parsing for quantum chemistry.
paper2
Second paper about cclib
pathfinding
Experimentation with rectilinear pathfinding methods in Processing
pisces
Pittsburgh InfraStructure for Clusters with Excess Electrons
pisces-1
Pittsburgh InfraStructure for Clusters with Excess Electrons
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4numpy
Combining Psi4 and Numpy for education and development.
pyci
A Python Configuration Interaction program.
pyflosic
Python based Fermi-Löwdin orbital self-interaction-correction
pyqmc
Python library for real space quantum Monte Carlo
pyquante2
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
pyscf
Python module for quantum chemistry
qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.
qml-mooc
Lecture notebooks and coding assignments for the quantum machine learning MOOC created by Peter Wittek on EdX in the Spring 2019
qmmm_study_group
QM/MM Study Group
qp2
Quantum Package : a programming environment for wave function methods
quantumenvelope
semiempy
Semiempirical Quantum Chemistry Methods
shivupa.github.io
slater_condon
Files for the Slater-Condon paper 2013
so-simple-theme
A simple and clean responsive Jekyll theme for words and photos.
software-development
A primer on software development best practices for computational chemistry
spectra
A header-only C++ library for large scale eigenvalue problems
taco
The Tensor Algebra Compiler (taco) computes sparse tensor expressions on CPUs and GPUs
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
