Example of a way of bringing the Python 3 matplotlib.pyplot.fill_between function to 3D plots.

SI data repository for paper on BK channel activator NS11021

我盗版我自己

Master programming by recreating your favorite technologies from scratch.

计算机自学指南

C++ Programming Tutorial in Chemistry

Library for Reading Gromacs TPR Files

Gromacs trajectory reader with OOP style for C++

C++ toolkit for use in reading in and analyzing Gromacs files

A community-maintained Python framework for creating mathematical animations.

An open library for the analysis of molecular dynamics trajectories

Python script for command-line manipulation of molecules

Python version of the modified Seminario method code

OCR software, free and offline. 开源、免费的离线OCR软件。支持截屏/批量导入图片，PDF文档识别，排除水印/页眉页脚，扫描/生成二维码。内置多国语言库。

Gaussian output file data extraction

Extract atomic charges from formatted .tpr file (For gromacs 2018.8).

Docs of Jian

Documentation that simply works

An open access book on scientific visualization using python and matplotlib

A Python script that plots radial distribution function (RDF) and coordination number curve from xvg file produced by gromacs.

XMU Chenglab Wiki

Installable VMD as a python module

ShareX is a free and open source program that lets you capture or record any area of your screen and share it with a single press of a key. It also allows uploading images, text or other types of f…

Optional static typing for Python

Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.

a VScode syntax highlight tool for molecular dynamics

Example code for Fluent Python, 2nd edition (O'Reilly 2022)

Useful scripts for chemical caculation, such as Gaussian, orca and Multiwfn.

Multiwfn: A Multifunctional Wavefuntion Analyzer