songyongshun
Lecturer of School of Physics, East China University of Science and Technology
@ecustShanghai
Pinned Repositories
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
miscellaneous_scripts
Various scripts for my personal use
PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
songyongshun.github.io
personal website
songyongshun's Repositories
songyongshun/ali_https
songyongshun/bagel_scripts
Some useful scripts to generate xyz coordinates as well as convert input files used in BAGEL, Turbomole.
songyongshun/base64_gbk
Transfer the encrypted base64 ascii into gbk format. The encode part is still to be done. Only works with vc++ compiler.
songyongshun/base64_utf8
run with gcc, input a Chinese character, output the base64 code, and can do this vice verse.
songyongshun/drude_1ubq
songyongshun/gen_ics
used to generate ics file from excel or csv format
songyongshun/gmxwebmd
songyongshun/homebrew-science
:snowflake: Scientific formulae for Homebrew and Linuxbrew (legacy)
songyongshun/ipymol
Control PyMOL sessions via IPython
songyongshun/mbox2eml
Extract emails from mbox-like files to multiple eml files (useful to import in your email client)
songyongshun/miscellaneous_scripts
Various scripts for my personal use
songyongshun/PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
songyongshun/songyongshun.github.io
personal website
songyongshun/j_from_g03
Calculate transfer integral between two molecules
songyongshun/javelin
songyongshun/kit-cmake
cmake modules and toolchains
songyongshun/MDBuilder
model builder for molecular dynamics simulations
songyongshun/mpqc
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
songyongshun/msmbuilder
:building_construction: Statistical models for biomolecular dynamics :building_construction:
songyongshun/pdb_T_gjf
pdb file trans gjf file
songyongshun/pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
songyongshun/sh51
a mini shell for 8051 MCU
songyongshun/taglist
Source code browser plugin for Vim
songyongshun/tcl_scripts
use with vmd
songyongshun/test_actions
songyongshun/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
songyongshun/useful_shell_scripts
useful shell scripts
songyongshun/vmd
Unofficial mirror for VMD source, fixed the qmtool plugin bugs
songyongshun/vmd-related
used with vmd
songyongshun/webmd