Pinned Repositories
ase-espresso
ASE interface for Quantum Espresso
bib2md
Convert bibtex to markdown with specific journal style (especially the APS, ACS journals)
epwtools
Epwtools: a toolkit for pre-processing and post-processing EPW calculations
phtools
Tools for the visualization of phonon results
pymatgen-notebook
QE-PlotPhonon-toolkit
Compatible with Quantum Espresso-5.4.0.
readingnotes
This repository shows my reading notes on ab-initio codes, machine learning, programming, and so on
SVM-bandgap
SVM benchmark for prediction of band gaps of semiconductors.
vaspfermipy
A Python toolset for Fermi surface calculations in DFT (VASP)
vaspwiki
An easy way to getting access to The VASP Manual
yw-fang's Repositories
yw-fang/SVM-bandgap
SVM benchmark for prediction of band gaps of semiconductors.
yw-fang/pymatgen-notebook
yw-fang/readingnotes
This repository shows my reading notes on ab-initio codes, machine learning, programming, and so on
yw-fang/vaspwiki
An easy way to getting access to The VASP Manual
yw-fang/phtools
Tools for the visualization of phonon results
yw-fang/SurfinPy
Thermodynamic Phase Diagram Generator
yw-fang/Tools-1
DFT post processing tools
yw-fang/API_Phonons
This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
yw-fang/CrySPY
Website and document: https://tomoki-yamashita.github.io/CrySPY
yw-fang/CrySPY_utility
yw-fang/CRYSTREE
A crystal structure predictor based on machine learning
yw-fang/CSP-maise
MAISE Module for Ab Initio Structure Evolution (MAISE)
yw-fang/dataset
Open dataset for research projects
yw-fang/dpti
yw-fang/dwm
Download Web Movies
yw-fang/jabbrv
Automatic Journal Title Abbreviation Package for LaTeX
yw-fang/lumitime
accumulated time of LUMI sources
yw-fang/PlotNeuralNet
Latex code for making neural networks diagrams
yw-fang/q-e
revised-qe based on official release of https://github.com/QEF/q-e/commit/ce561e80fa51fbc2904c59db0bf7fc0b825e1bb9
yw-fang/qeAPI
An API btw Quantum ESPRESSO and Python
yw-fang/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
yw-fang/sGDML
sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
yw-fang/sumo
Heavyweight plotting tools for ab initio calculations
yw-fang/supercell
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
yw-fang/tool_library
my personal tools including shell, python, sed
yw-fang/tools
Tools and scripts I wrote and regularly use
yw-fang/XRD-AutoAnalyzer
yw-fang/xtb
Semiempirical Extended Tight-Binding Program Package
yw-fang/yw-fang.github.io
Welcome to Academic Personal Homepage of Yuewen
yw-fang/yw-fang00.github.io
Welcome to Yuewen's homepage