Qingzhao’s Projects
AI-learns-to-play-the-dino-game
AsFem
A Simple Finite Element Method program (AsFem)
aten
Molecular / atomic coordinate editor
atomman
Atomistic Manipulation Toolkit
awesome-python-chemistry
A curated list of Python packages related to chemistry
awesome-python-MD
cantera
Chemical kinetics, thermodynamics, and transport tool suite
CFDPython
A sequence of Jupyter notebooks featuring the “12 Steps to Navier-Stokes” lorenabarba.com/
chemics
A Python package for chemical reactor engineering
conda
Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)
DataScience
Data Science in Julia course for JuliaAcademy.com, taught by Huda Nassar
doc
dockerfiles
dpgen
The deep potential generator
fastai
The fast.ai deep learning library, lessons, and tutorials
fessa-color-palette
fftool
Tool to build force field input files for molecular simulation.
finalspeed
高速双边加速软件,在高丢包,延迟环境下仍可达到90%物理带宽利用率.
flameshot
Powerful yet simple to use screenshot software
Gaussian-Python-Scripts
Some Python scripts for automating gaussian and analyzing the output.
GRO2LAM
Gromacs to Lammps simulation converter
gromacs-lammps-process-simulation
This repository contained python code used to do gromacs and lammps molecular dynamics simulation. Process to generate topology files compatible with AMBER force field (GAFF). Automatically generate simulation control files for gromacs and lammps.
hello-world
my hello world practice
I-ReaxFF
I-ReaxFF: stand for Intelligent-Reactive Force Field
Interview-Notebook
:calendar: 准备秋招学习笔记
iprPy
NIST Interatomic Potential Repository property calculation tools
lammps
lammps-1
Public development project of the LAMMPS MD software package
LAMMPS-MD-PdH
Parses dump files from LAMMPS MD output, calculates thermodynamic properties (Maxwell Boltzman distribution, equilibrium lattice constant, bulk modulus, pressure auto correlation function, diffusion coefficient, etc..) of crystal Pd, and a solution of H in Pd lattice.
LAMMPS_Simulation
Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
Read more here: Source link