- š Hi, Iām @rayhe88
- š Iām interested in Quantum and Computational Chemistry
rayhe88 Goto Github PK
Name: RayHdzEsp
Type: User
Name: RayHdzEsp
Type: User
Anton's OpenGL 4 Tutorials book - Demo Code
Module than runs pwdft using ASE (calculator)
multi-dimensional adaptive integration (cubature) in C
Find critical points and bond path in a density cube
CUDA Library Samples
Repo for a DOE HPC workflow training event
Notes and tutorials on density functional theory calculation using Quantum Espresso.
Python library for Molecular Integration
A code to manipulate the wave function of an electronic structure calculation in WFX format.
Project in C++ for hindered Rotors
A Python Library for Reading, Writing, and Converting Computational Chemistry File Formats
JSON for Modern C++
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Small code to work with pandas dataframe and get nuclear repulsion energy
Build and run Docker containers leveraging NVIDIA GPUs
OpenMP Tutorial
A program that evaluate a scalar field (orbital) using SYCL
small parser for PWDFT timings
Small parser to QuantumEspresso outputs
PW DFT development for NWChemEx
A workflow for testing PWDFT and QE codes in Aurora/Sunspot
Pynta - an automated workflow for reaction path exploration on metallic surfaces
Config files for my GitHub profile.
A sample project that exists for PyPUG's "Tutorial on Packaging and Distributing Projects"
Example of Using SYCL with CMake
Training examples for SYCL
A declarative, efficient, and flexible JavaScript library for building user interfaces.
š 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. ššš
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 ā¤ļø Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.