Vei Wang's repositories
awesome-awesomeness
A curated list of awesome awesomeness
awesome-chatgpt-prompts
This repo includes ChatGPT prompt curation to use ChatGPT better.
awesome-cpp
A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny things. Inspired by awesome-... stuff.
berry
Calculates Berry connections and other properties from DFT packages
C-Plus-Plus
Collection of various algorithms in mathematics, machine learning, computer science and physics implemented in C++ for educational purposes.
chemfiles
Library for reading and writing chemistry files
crystal-gnn
A Benchmarking Framework for Crystal GNNs
CrystaLLM
A Large Language Model of the CIF format for Crystal Structure Generation
den2obj
Generate isosurface from density data
flang
Flang is a Fortran language front-end designed for integration with LLVM.
foropenai
ForOpenAI - A Fortran library for OpenAI API.
forsolver
ForSolver - linear and nonlinear solvers
fortran-cpp-interface
Examples of Fortran 2003 C / C++ interfacing with Fortran
fortran-lapack
Modularized Fortran LAPACK implementation
gpt-crawler
Crawl a site to generate knowledge files to create your own custom GPT from a URL
http-client
http-client offers a user-friendly, high-level API to make HTTP requests in Fortran.
imgui_bundle
Dear ImGui Bundle: easily create ImGui applications in Python and C++. Batteries included!
inifile-cpp
A header-only and easy to use Ini file parser for C++.
Interstitial-Finder
Finds the interstitial sites in a material using Voronoi. The input file should be in VASP poscar format
lfortran
Official main repository for LFortran
ml-cpp
Machine learning C++ code
ml_atomate
Machine learning-assisted Atomate code for autonomous computational materials screening.
pymatgen-analysis-defects
Defect analysis modules for pymatgen
sccop
Symmetry crystal combinatorial optimization program for crystal prediction.
simmate
The Simulated Materials Ecosystem (Simmate) is a toolbox and framework for computational materials research.
SIRIUS
Domain specific library for electronic structure calculations
syntran
An interpreter written in Fortran, I guess
VASP2KP
compute kp parameters and Lande g-factors directly from the VASP wavefunctions.
xyz2tab
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables