MLPs fitted using the Latent Ewald Summation (LES) library and associated scripts.

Converts python code into c++ by using OpenAI CODEX.

NoteBook FanControl

Quantum Chemistry Web Platform

DScribe is a python package for creating machine learning descriptors for atomistic systems.

A comprehensive library for computational molecular biology

A list of Free Software network services and web applications which can be hosted on your own servers

cp2k postprocessing tools

Implementation of Markov Chain Monte Carlo in Python from scratch

calculate chemical bond strength in solids, surfaces and molecules

Learn and understand Docker&Container technologies, with real DevOps practice!

AI for Science

NequIP is a code for building E(3)-equivariant interatomic potentials

⌨《Fortran语言实战》是一份由Fortran爱好者（Fortran-Fans）社区驱动的Fortran语言编程实战教程。

Documentation for GitHub Copilot

Python computations in science and engineering

SingleNN, a NN potential for energy and forces

猫抓 浏览器资源嗅探扩展 / cat-catch Browser Resource Sniffing Extension

AlphaFold2 non-docker setup

Open source code for AlphaFold 2.

Command-line program to download videos from YouTube.com and other video sites

Simple library for reading trajectory coordinates

告别枯燥，致力于打造 Python 实用小例子，更多Python良心教程见 https://ai-jupyter.com

Convert CAJ (China Academic Journals) files to PDF. 转换中国知网 CAJ 格式文献为 PDF。佛系转换，成功与否，皆是玄学。

Needs to generate some texts to test if my GUI rendering codes good or not. so I made this.

Semiempirical Extended Tight-Binding Program Package

Realtek 802.11n WLAN Adapter Linux driver

Realtek 8812AU driver version 5.2.20.2

Deepin Wine for Ubuntu/Debian

Gromacs to Lammps simulation converter