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Name: Wei Li
Type: User
Name: Wei Li
Type: User
Allan Lab website
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
Some examples for the use of boost::python
CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of the constituent elements' chemical potentials within which it is stable, in comparison with competing phases and the elemental forms.
A collection of crystal structures from first-principles simulations
[DEPRECATED] Please use https://github.com/QEF/q-e instead
A python library to parse, operate and present datasets generated by density functional theory codes
Python implementation of Tully's Fewest Switches Surface Hopping
A generic INCAR file for the density functional theory package VASP
JADE: an on-the-fly surface hopping package for poly-atomic systems developed by Prof. Z. Lan and co-workers (http://jade-package.github.io/JADE)
Its a code to generate K points for YAEHMOP
Libra-driven interfaces with Quantum Espresso and GAMESS programs
An implementation of a complete machine learning solution in Python on a real-world dataset. This project is meant to demonstrate how all the steps of a machine learning pipeline come together to solve a problem!
Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
Code written for the paper "Crystal structure embedding in vector space: predicting Metal Organic Frameworks properties with Neural Networks"
Script library mainly about chemical physics.
Fortran Code for the non-equilibrium Dynamical Mean Field Theory
Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
This is the project repository for nonadiabatic molecular dynamics in the neglect-of-back-reaction approximation at the many-body level of theory. The systems considered for the dynamics are Cd33Se33 and Si75H64
Python Materials Discovery Framework
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
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.