Stars
Intergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Google Antigravity, OpenClaw, etc)
🎭 267 个即插即用的 AI 专家角色 — 支持 Hermes Agent/Claude Code/Cursor/Copilot 等 18 种工具，覆盖工程/设计/营销/金融等 20 个部门。含 52 个中国市场原创智能体（小红书/抖音/微信/飞书/钉钉等）。搭配编排器 agency-orchestrator，一句话即可让多位专家按 DAG 自动协作。
Lightweight coding agent that runs in your terminal
omo/lazycodex: The coding agent for tokenmaxxers;the one and only agent harness for complex codebases. For your Codex, for your OpenCode
Claude Code is an agentic coding tool that lives in your terminal, understands your codebase, and helps you code faster by executing routine tasks, explaining complex code, and handling git workflo…
Extracts data points from images of graphs
A Python utility to digitize plots. A web-utility for non-batch mode https://tools.dilawars.me/tool/plot-extractor
Computer vision assisted tool to extract numerical data from plot images.
Basic Computational Fluid Dynamics (CFD) schemes implemented in FORTRAN using Finite-Volume and Finite-Difference Methods. Sample simulations and figures are provided.
Source, test set, and document for Molecular Dynamics software, GENESIS.
🧜♀️ A Sublime Text plugin to beautify, minify, convert: CSS, SCSS, Sass, HTML, XML, SVG, JS,JavaScript, JSON, GraphQL, Markdown, TypeScript, Vue, Lua, YAML, Go, Perl, PHP, Python, Ruby, Rust, Hask…
Petaca: A collection of foundational Fortran modules
Nonlinear Equation Solver with Modern Fortran
Modern Fortran library for finding the roots of real and complex polynomial equations
The object-oriented HPC platform for CFD, plasma and multi-physics simulations whose development started in 2002 at the Von Karman Institute for Fluid Dynamics is finally open!
Heuristic global optimization algorithms in Python
🎯 A comprehensive gradient-free optimization framework written in Python
Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)
Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and crystalline materials. Beyond standard RDF and PAD, it now suppor…
Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
Exercise solutions for Prof. Springel's lecture "Fundamentals of Simulation Methods" (fall 2015, Heidelberg University)
CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input file used in CP2K.