Matplotlib styles for scientific plotting

The most powerful and modular diffusion model GUI, api and backend with a graph/nodes interface.

User-friendly AI Interface (Supports Ollama, OpenAI API, ...)

Stop renting your intelligence. Own it with AnythingLLM. Everything you need for a powerful local-first agent experience

FluxDown 是一个跨平台多协议下载器

Python package for calculating XDM (Exchange-hole Dipole Moment) multipole moments using multiple atoms-in-molecules (AIM) partitioning schemes.

Tools for automated computational chemistry

Computational chemistry template-based input generator

Package for the calculating electric fields and ESP in molecular systems.

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

一个基于 JavaScript 的网盘文件下载地址获取工具。基于【网盘直链下载助手】修改 ，支持 百度网盘 / 阿里云盘 / 中国移动云盘 / 天翼云盘 / 迅雷云盘 / 夸克网盘 / UC网盘 / 123云盘 八大网盘

Systematically Improvable Numerical Atomic Orbital Basis Using Contracted Truncated Spherical Waves

A modern DFT + DMFT computation framework

A streamlit web application for running PyFock interactively on the web or your own PC.

An efficient and fully parallelized pure python DFT and electronic structure code with GPU acceleration through just-in-time compilation

LLM-powered agents for scientific research automation

Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)

LEAKED SYSTEM PROMPTS FOR CHATGPT, CLAUDE, GEMINI, GROK, PERPLEXITY, CURSOR, LOVABLE, REPLIT, AND MORE! - AI SYSTEMS TRANSPARENCY FOR ALL! 👐

📚 免费的计算机编程类中文书籍，欢迎投稿

Machine-learning force-field (MLFF)–native molecular modeling platform

Make interactive scatterplots of atomic orbitals and animate them.

std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DFT, and SF-Xs-TD-DFT)

ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.

QMeCha Open 0.1 by Matteo Barborini & coworkers

ChatGPT 中文调教指南。各种场景使用指南。学习怎么让它听你的话。

An Open-Source Python3 tool with SMALL models for recognizing layouts, tables, math formulas (LaTeX), and text in images, converting them into Markdown format. A free alternative to Mathpix, empowe…

arXiv LaTeX Cleaner: Easily clean the LaTeX code of your paper to submit to arXiv

Fast math typesetting for the web.

[EMNLP 2025 Demo] PDF scientific paper translation with preserved formats - 基于 AI 完整保留排版的 PDF 文档全文双语翻译，支持 Google/DeepL/Ollama/OpenAI 等服务，提供 CLI/GUI/MCP/Docker/Zotero

《力学概论》LaTeX 重排版