ruoitrau86 Goto Github PK

pyqha

A python project for quasi-harmonic properties calculations

q-e

ESM-RISM version of Quantum ESPRESSO

qe-6.0_lambda_weight

qmpython

Quantum Mechanics and Schrodinger Equation Solvers in Python.

qscaild

quantum-honeycomp

Package to perform tight binding calculation in tight binding models, with a friendly user interface

rdf

A code to compute the radial distribution function

real-time-voice-cloning

Clone a voice in 5 seconds to generate arbitrary speech in real-time

reaxff-gcmc

reaxff-optimization

Training code used to optimize reaxff force field (via LAMMPS)

reproduced-papers

A collection of IPython notebooks with reproduced numerical results of some interesting papers.

reproduced-papers.github.io

Index web site for reproduced papers

ruoitrau86.github.io

scholar.py

A parser for Google Scholar, written in Python

scientific-python-lectures

Lectures on scientific computing with python, as IPython notebooks.

scipy-recipes

Code repository for SciPy Recipes, published by Packt

seing

Molecular fingerprints computation for machine learning applications

setupkpoints

Uses the SeeKpath program and the ASE package to generate standardised sets of special points and paths between them for any given crystal structure.

tabular

Vim script for text filtering and alignment

tbmodels

A tool for creating and manipulating tight-binding models.

tensorflow-tutorial

Tensorflow tutorial from basic to hard

tensorflow-tutorials

TensorFlow Tutorials with YouTube Videos

terminator-molokai

twod_materials

High throughput workflow tools for characterizing 2D materials in VASP.

vaet

Aenet package tools for VASP

vasp

Python program to evaluate off-resonance Raman activity using VASP code as the backend.

vasppy

A Python suite for manipulating VASP input and output

vnf

Virtual Neutron Facility

z2pack

A tool for calculating topological invariants.

zero-point-energy

Calculates zero point energy from QUANTUM ESPRESSO dynamical matrix files