Starred repositories
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
🧬 Discover and utilize QuantumChem-200K, a dataset of 200,000 organic molecules with key quantum-chemical properties for research and modeling.
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.
andyj10224 / psi4
Forked from psi4/psi4Open-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 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