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Name: Xin Li
Type: User
Company: KTH Royal Institute of Technology
Location: Stockholm, Sweden
Name: Xin Li
Type: User
Company: KTH Royal Institute of Technology
Location: Stockholm, Sweden
Convert AMBER input files (prmcrd, prmtop) to GROMACS format (gro, top)
A demonstration of a boost-python hello world program
A Molecular Dynamics Simulation Engine Using Capacitance-Polarizability Force Field
CUDA lab exercises for the PDC summer school
A basic implementation of DFT quadrature using Becke Voronoi Partitioning
code for exciton-coupled circular dichroism spectra
Gator program manual
Tools for analyzing gro trajectory files from molecular dynamics simulations
Convert Hessian to bond stretching and angle bending parameters
Hartree-Fock Method
Carpentries-style lesson on Python for High Performance Computing
Introduction to PDC and HPC, including tips and tricks
Software Carpentry style introduction to MPI
general GTO integrals for quantum chemistry
Lightspeed: An ultralight C++/Python library for electronic structure theory development
MPI exercises used for the Introduction to MPI course
Software pages for the PDC website
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
A saner handling of the environmental handling the conda command provides
An old code that calculates surface tension of a spherical water droplet
My experimental quantum chemistry 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.