Starred repositories
Systematically Improvable Numerical Atomic Orbital Basis Using Contracted Truncated Spherical Waves
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! 👐
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
[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
Browser automation CLI for AI agents
[ACL 2026] A large-scale longitudinal study on robust and fair evaluation of LLMs — 200K+ generative questions across 13 disciplines
LLM evaluation on 2024 Chinese Gaokao Mathematics — zero-contamination benchmark with dual prompt formats
🥣 AIGC 提示词可视化编辑器 | OPS | Open Prompt Studio
去AI味提示词-作家增强-SKILL
LangGPT: Empowering everyone to become a prompt expert! 🚀 📌 结构化提示词（Structured Prompt）提出者 📌 元提示词（Meta-Prompt）发起者 📌 最流行的提示词落地范式 | Language of GPT The pioneering framework for structured & meta-prompt…