songyongshun Goto Github PK

ali_https

bagel_scripts

Some useful scripts to generate xyz coordinates as well as convert input files used in BAGEL, Turbomole.

base64_gbk

Transfer the encrypted base64 ascii into gbk format. The encode part is still to be done. Only works with vc++ compiler.

base64_utf8

run with gcc, input a Chinese character, output the base64 code, and can do this vice verse.

chemistry-libs

A library of chemistry functions for LAMMPS and Gaussian, in Python.

drude_1ubq

gen_ics

used to generate ics file from excel or csv format

gmxwebmd

gromacs_scripts

homebrew-science

:snowflake: Scientific formulae for Homebrew and Linuxbrew (legacy)

ipymol

Control PyMOL sessions via IPython

j_from_g03

Calculate transfer integral between two molecules

javelin

kit-cmake

cmake modules and toolchains

mbox2eml

Extract emails from mbox-like files to multiple eml files (useful to import in your email client)

mdbuilder

model builder for molecular dynamics simulations

mpqc

The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.

msmbuilder

:building_construction: Statistical models for biomolecular dynamics :building_construction:

pdb_t_gjf

pdb file trans gjf file

pyemma

🚂 Python API for Emma's Markov Model Algorithms 🚂

pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

sh51

a mini shell for 8051 MCU

songyongshun.github.io

personal website

taglist

Source code browser plugin for Vim

tcl_scripts

use with vmd

test_actions

ui-plot

ui-plot for paper "网页版快捷绘图程序辅助“二极管伏安特性研究”实验教学" with DOI: 10.14139/j.cnki.cn22-1228.2023.02.023

useful_shell_scripts

useful shell scripts

vmd

Unofficial mirror for VMD source, fixed the qmtool plugin bugs

vmd-related

used with vmd