Agent Laboratory is an end-to-end autonomous research workflow meant to assist you as the human researcher toward implementing your research ideas

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

A modular framework for neural networks with Euclidean symmetry

This repository provides tutorials and implementations for various Generative AI Agent techniques, from basic to advanced. It serves as a comprehensive guide for building intelligent, interactive A…

An open-source RAG-based tool for chatting with your documents.

a python package for computing magnetic interaction parameters

🎙️ Speak with AI - Run locally using Ollama, OpenAI or xAI - Speech uses XTTS, OpenAI or ElevenLabs

This package is for constructing of the LAttice Wannier Functions and other types of Wannier functions.

Examples for the TB2J code

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑‍🔬

All stuff related to the ABINIT web site : html pages, documents, figures (incl. pseudopotential) ...

Simple bookmark manager built with Go

Ferroelectric/Ferroelastic domain wall builder

Generate symmetrized force constants

for input script conversion

Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)

MACE-MP models

The SWIRL code is a python implementation of the "Estimated Vortex Center" (EVC) method for an automated identification of vortices in two-dimensional velocity fields.

A Wannier90 python interface for VASP and PySCF

🐸💬 - a deep learning toolkit for Text-to-Speech, battle-tested in research and production

Extended DeepH (xDeepH) method for magnetic materials.

On-the-fly generator of space-group irreducible representations

MULTIBINT ecosystem

Plotting extension for Wannier.jl

Pre-computed datasets for Wannier.jl