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Name: keke
Type: User
Name: keke
Type: User
ase interface for Quantum Espresso
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For weekly plans, slides etc this site contains all relevant info
Pair correlation function, dipole autocorrelation function, cross-correlation function
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A book on modeling materials using VASP, ase and jasp
Automatically exported from code.google.com/p/dynsf
The one and only one gfwlist here
北京大学课程资料整理
This code extracts line width of phonons from specular energy density (SED) calculated with LAMMPS.
open-source nanotech CAD
Universal markup converter
This is a bash script which enable us to calculate forces of displacemented crystal structure made by Phonopy using VASP code. It's tested on a Linux cluster system.
Inputs and hand-outs for a PIMD tutorial based on i-PI
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Python FLAMES Tookit
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
A simple yet flexible programmatic workflow of describing, submitting and analyzing VASP jobs.
Lectures on scientific computing with python, as IPython notebooks.
A library of fortran modules and routines for scientific calculations (*in a way* just like scipy for python)
Python port of ShadowsocksR
LAMMPS plugins for thermal conductivity and density of states calculation
Python program to evaluate off-resonance Raman activity using VASP code as the backend.
Scripts for creating, reading, visualizing, analyzing data, etc for files for DFT calculations using VASP.
Processing VASP files with Python
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.