misaraty Goto Github PK

aimsgb

Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)

basic_language_comparison

blog

Personal website

carriercapture.jl

Package to compute trap-assisted electron and hole capture in semiconducting compounds

cloud189checkin-actions

基于Github Actions的天翼云盘每日签到

epwgen

script to generate input files for EPW

heu_kms_activator

lvcsh

A Fortran code to simulation the non-adiabatic Molecular Dynamics in the Crystal Materials.

mbeautifier

MBeautifier is a MATLAB source code formatter, beautifier. It can be used directly in the MATLAB Editor and it is configurable.

nano-qmflows

Package containing several workflows to compute molecular properties for nanomaterials

nonrad

Implementation for computing nonradiative recombination rates in semiconductors

project_soc_perovskite_intraband_relaxation

input and output files for simulation of intraband relaxation with/without SOC in perovskite MAPbI3 in tetragonal phase

pytorch-multi-gpu-training

整理 pytorch 单机多 GPU 训练方法与原理

pytorch-summary

Model summary in PyTorch similar to `model.summary()` in Keras

pytorchviz

A small package to create visualizations of PyTorch execution graphs

readme

README文件语法解读，即Github Flavored Markdown语法介绍

scientific-visualization-book

An open access book on scientific visualization using python and matplotlib

vaspbandunfolding

a python class for dealing with VASP WAVECAR.

vaspposcarmayavi

Use 3D visualization software Mayavi to visualize VASP POSCAR file.

vaspvib2xsf

Visualize vibrational modes from VASP calculations

xdatcar_toolkit

XDATCAR_toolkit- A tool for convert XDATCAR to PDB

zhuyonghao_public

Sharing the codes