berquist Goto Github PK
Name: Eric Berquist
Type: User
Company: Sandia National Laboratories
Bio: full-stack quantum chemist
Location: Boston, MA
Name: Eric Berquist
Type: User
Company: Sandia National Laboratories
Bio: full-stack quantum chemist
Location: Boston, MA
Supporting information (calculation outputs, structures) for https://doi.org/10.1021/acs.jpca.1c03061
Update your GitHub actions' versions, syntax, and other!
Advent of Code solutions: https://adventofcode.com/
A collaborative book on algorithms
Annotated data.
Ansible role for installing and managing the Slurm Workload Manager
Approximate floating point equality comparisons and assertions
Emacs major mode for editing Singularity/Apptainer files
Welcome to ArgoNPTMC.
A fast, ergonomic and portable tensor library in Nim with a deep learning focus for CPU, GPU and embedded devices via OpenMP, Cuda and OpenCL backends
A prototype implementation of the ASDF Standard for C++
A Julia implementation of the Advanced Scientific Data Format (ASDF)
atomate is a powerful software for computational materials science and contains pre-built workflows.
automated reaction profile generation
A pedagogical implementation of Autograd
Python script plugin to import files through cclib
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Python input file generators for Avogadro 2
A curated list of awesome Discord communities for programmers
A curated list of Python packages related to chemistry
Babashka book
A repository for quantum chemistry basis sets
A translation of all the code from Baseball Hacks (Joseph Adler) into Python.
Bear is a tool that generates a compilation database for clang tooling.
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 is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
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.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.