Name: James E T Smith
Type: User
Company: @qognitive
Bio: HPC Software Engineer @qognitive. Formerly @emusolutions (i.e. Lucata Corporation), postdoc @flatironinstitute working on quantum chemistry and @pyscf
Location: NYC
2020-software-fellow-posters
2021-06-16-pybind11
A fake carpentries-style workshop on pybind11
2021_09_24_pyscf_overview_talk
A talk about PySCF and how it relates to the rest of the CCQ software ecosystem
2022_06_17_pyscf_intro
2022_simons_collab_pyscf_workshop
Demos for the 2022 Many Electron Collaboration Workshop on PySCF
2023-06-15-cmake-intro
A very brief and practical intro to CMake
algorithm_practice
Implementation and testing of algorithms, mostly from "The Algorithm Design Manual 2nd Ed." by Steven S. Skiena.
build_scripts
Build Scripts for Mac and Linux
cantherm
Python based software to calculate thermodynamic properties of molecules and rate coefficients of reactions.
cclib
Parsers and algorithms for computational chemistry logfiles
chemps2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
clang-format-lint-action
This action checks if the source code matches the .clang-format file.
cms-python-devops
Python Module Development
conda_envs
A bare bones repo for storing all of the conda env files I use
cookiecutter-cms-pycpp
A cookiecutter template for a mixed Python and C++ project
data_repo_cookiecutter
deprecated_jamesetsmith.github.io
:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.
dice
fast_matrix_market
Fast and full-featured Matrix Market I/O library for C++ and Python
fri-cc
Fast-randomized iteration for coupled cluster.
gb_test_framework
A sandbox for implementing a test framework for GraphBLAS.
geometric
Geometry optimization code that includes the TRIC coordinate system
graph500
Graph500 reference implementations
graphblas
SuiteSparse:GraphBLAS: graph algorithms in the language of linear algebra. For production: (default) STABLE branch. Code development: (non-default) MASTER branch. video intro: https://youtu.be/Tj5y6d7FegI .
grb-mxm-timer
greensfunction
Green's functions using PySCF
hande
Open source stochastic quantum chemistry
hci_nuc_gradients
Scripts and input files for generating the data in the HCI gradients paper.
hpc-intro
Lesson materials for an Introduction to High Performance Computing in the tradition of Software Carpentry
itensorchemistry.jl
Add-on package to ITensors.jl for chemistry.
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.
