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Name: albert
Type: User
Bio: NaN
Location: Bonn
Name: albert
Type: User
Bio: NaN
Location: Bonn
Container version of avogadro1 for distros not supporting avogadro1 anymore
commandline define
🤝 Awesome List of GIFs & avatars to use in GitHub.
Quantum chemistry and solid state physics software package
Extended conductor-like polarizable continuum solvation model
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
DFTB+ general package for performing fast atomistic simulations
Automatically generates FORtran Documentation from comments within the code.
Fortran 2018 standard examples with broad applications
Fortran Package Manager (fpm)
Brew formulas for xtb and related quantum chemistry programs
Official main repository for LFortran
Lmod: An Environment Module System based on Lua, Reads TCL Modules, Supports a Software Hierarchy
Awesome Python features explained using the world of magic
Modular computation tool chain library
The Meson Build System
Electronegativity equilibration model for atomic partial charges
A parallel framework for deep learning
Fortran bindings for the NLopt library
Solvent accessible surface area calculation
NWChem: Open Source High-Performance Computational Chemistry
oneAPI Math Kernel Library (oneMKL) Interfaces
An interactive Fortran playground
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Generalized tight-binding program
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Python module for quantum chemistry
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Resources for teaching quantum chemistry courses in Bonn
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.