abelcarreras Goto Github PK
Name: Abel Carreras
Type: User
Company: Multiverse Computing
Location: Donostia-San Sebastian (Spain)
Name: Abel Carreras
Type: User
Company: Multiverse Computing
Location: Donostia-San Sebastian (Spain)
Documentation website
Find plugins for AiiDA
Plugins and workflows for AiiDA
Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Parsers and algorithms for computational chemistry logfiles
Continuous symmetry measures (CSM) of the electronic density from Gaussian cube file
Python functions to calculate the FFT and autocorrelation function using GPU (Cuda)
Simple classical molecular dynamics code using custom potentials
Phonon anharmonicity analysis from molecular dynamics
A python GROMACS interface for MD simulations of organic molecular crystals
A Python Library for Reading, Writing, and Converting Computational Chemistry File Formats
IQmol is an open source molecular editor and visualization package
Kintetic Monte Carlo code to simulate exciton dynamics
Pycharm lesson
simple visualization of molecules in python
Classical MonteCarlo simulation using normal modes as coordinates
OpenFermion plugin to interface with the electronic structure package PySCF.
LAMMPS interface for phonon calculations using phonopy
Python library to determine the point group of molecular geometries
Point symmetry analysis tool for theoretical chemistry objects
Python interface for Q-Chem
Software Carpentry introduction to Python for novices using inflammation data.
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.