ys_song's repositories
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.
homebrew-science
:snowflake: Scientific formulae for Homebrew and Linuxbrew (legacy)
ipymol
Control PyMOL sessions via IPython
mbox2eml
Extract emails from mbox-like files to multiple eml files (useful to import in your email client)
PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
songyongshun.github.io
personal website
j_from_g03
Calculate transfer integral between two molecules
kit-cmake
cmake modules and toolchains
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
pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
sh51
a mini shell for 8051 MCU
taglist
Source code browser plugin for Vim
tcl_scripts
use with vmd
useful_shell_scripts
useful shell scripts
vmd
Unofficial mirror for VMD source, fixed the qmtool plugin bugs
vmd-related
used with vmd