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A curated list of awesome command-line frameworks, toolkits, guides and gizmos. Inspired by awesome-php.
BandUP: Band Unfolding code for Plane-wave based calculations
This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
Converts (most) CIF files to VASP's POSCAR format
The Leek group guide to data sharing
programs for analysis of atomistic models.
Interatomic potential creating using DFT training data.
A toolbox for quickly build inputs and analyze results of DFT codes
A Python (version 2.7) script for calculating the IR spectrum based on the Fast Fourier Transform (FFT) of the Auto-Correlation Function on the total dipole moment data (Dipole-ACF, or DACF). The total dipole moment data were generated from the CP2K ab initio molecular dynamics (AIMD) simulations.
Jonathan Sick's dotfiles.
Pull or push Google Drive files
MATLAB scripts to calculate correlation function from dipole moment vs time data, calculate frequency dependent dielectric function and produce a bunch of plots
Git development branch
Go Version Manager
DFT optimised crystal structures of organometal hybrid halide perovskites, including CH3NH3PbI3 (MAPI)
Different scripts for molecular modelling related tasks
100 numpy exercises (with solutions)
Machine learning, in numpy
Random projects I happen to have written code for.
band plot using python matplotlib
A physics computational framework for python and ipython
A code to generate crystal structure
Various scripts used to maintain Fink, the web site and the binary distribution. They are not intended for use by the general public.
Python module for Simulated Annealing optimization
A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE
Ab-initio computation of material properties
processing wannier90_hr.dat to band structures
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.