8000 izumitkhr (Izumi Takahara) / Starred · GitHub
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Souce code for ElaTBot and ElaTBot-DFT.

Jupyter Notebook 3 Updated May 21, 2025

A repository for the LLM-Prop implementation

Python 38 7 Updated Apr 26, 2024

Code and data used to create and evaluate LLM4Mat-Bench

Python 16 Updated Oct 30, 2024

A repository for implementing graph network models based on atomic structures.

Jupyter Notebook 85 12 Updated Aug 8, 2024

CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich

C++ 17 4 Updated Sep 19, 2022

Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim

Jupyter Notebook 63 14 Updated Oct 23, 2024

Convert ebooks to audiobooks with chapters and metadata using dynamic AI models and voice cloning. Supports 1,107+ languages!

Python 9,964 726 Updated Jun 8, 2025

LlamaIndex is the leading framework for building LLM-powered agents over your data.

Python 42,173 6,032 Updated Jun 7, 2025

A library for efficient similarity search and clustering of dense vectors.

C++ 35,414 3,900 Updated Jun 6, 2025

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/@dr_k_choudhary

Python 342 130 Updated Mar 6, 2025

🤖 AgentVerse 🪐 is designed to facilitate the deployment of multiple LLM-based agents in various applications, which primarily provides two frameworks: task-solving and simulation

JavaScript 4,602 446 Updated Sep 9, 2024

[NeurIPS 2023] Reflexion: Language Agents with Verbal Reinforcement Learning

Python 2,743 262 Updated Jan 14, 2025

[ICLR 2023] ReAct: Synergizing Reasoning and Acting in Language Models

Jupyter Notebook 2,731 280 Updated Feb 6, 2024

Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions"

Python 134 22 Updated Oct 29, 2024
HTML 16 5 Updated May 23, 2025

Schedule-Free Optimization in PyTorch

Python 2,170 73 Updated May 21, 2025

A PyTorch library for implementing flow matching algorithms, featuring continuous and discrete flow matching implementations. It includes practical examples for both text and image modalities.

Python 2,744 153 Updated May 28, 2025

Python SDK, Proxy Server (LLM Gateway) to call 100+ LLM APIs in OpenAI format - [Bedrock, Azure, OpenAI, VertexAI, Cohere, Anthropic, Sagemaker, HuggingFace, Replicate, Groq]

Python 23,753 3,136 Updated Jun 8, 2025

Large language models to generate stable crystals.

Python 103 22 Updated Jun 18, 2024

Automatic generation of crystal structure descriptions.

Python 120 30 Updated Jun 2, 2025

Some Grid Engine/Son of Grid Engine/Sun Grid Engine

C 108 41 Updated May 31, 2025

The AI Code Editor

30,231 1,919 Updated Oct 13, 2024

atomate2 is a library of computational materials science workflows

Python 222 112 Updated Jun 5, 2025

This is the repository for the Tool Learning survey.

388 14 Updated May 23, 2025

Obsidian Importer lets you import notes from other apps and file formats into your Obsidian vault.

TypeScript 943 100 Updated May 12, 2025

AiiDA plugin for ASE

Python 6 9 Updated Sep 5, 2024

ORB forcefield models from Orbital Materials

Python 445 61 Updated Apr 30, 2025

Framework for orchestrating role-playing, autonomous AI agents. By fostering collaborative intelligence, CrewAI empowers agents to work together seamlessly, tackling complex tasks.

Python 32,615 4,380 Updated Jun 8, 2025

AutoGPT is the vision of accessible AI for everyone, to use and to build on. Our mission is to provide the tools, so that you can focus on what matters.

Python 175,953 45,779 Updated Jun 7, 2025

Quokka: An Open-source Large Language Model ChatBot for Material Science

10 2 Updated Jan 29, 2024
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