cstein Goto Github PK
Name: Casper Steinmann
Type: User
Company: Aalborg University
Bio: Associate Professor of Computational Chemistry at Aalborg University. Maintainer of @steinmanngroup
Twitter: caspersteinmann
Location: Aalborg, Denmark
Name: Casper Steinmann
Type: User
Company: Aalborg University
Bio: Associate Professor of Computational Chemistry at Aalborg University. Maintainer of @steinmanngroup
Twitter: caspersteinmann
Location: Aalborg, Denmark
code samples from the blog
code to calculate things with
Parsers and algorithms for computational chemistry logfiles
tools for chemistry
Useful (homemade) scripts for Dalton
My dotfiles for ubuntu 12.04 and various tools
GUI for analyzing FMO interaction energies.
Graph-based genetic algorithm
Supporting information for our GB-GA work
A JSON parser in C++
A converter from DALTON LoProp calculations to MpProp files
This general many-body library enables you to calculate the energy (and energy derived properties) to any order when you interface it properly to a quantum chemistry code.
Tiny python script to convert between megawords and megabytes
A tiny framework for rotations
Examples of MPI
Nudged-Elastic Band implementation in python
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
QFITLIB: A library to do multipole fitting in quantum chemistry codes
QML: Quantum Machine Learning
An implementation of ring current effects on protein backbone amide protons
Tabulated spectra from the scientific litterature
Illustration on how to convert a TIKZ picture to a pdf
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.