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Argonne National Laboratory
- keceli.github.io
- @hpc4science
Stars
High-performance web crawler API optimized for LLMs. Turn any search or website into clean Markdown using remote browsers. Firecrawl alternative
List of projects that provide terminal user interfaces
Context7 MCP Server -- Up-to-date code documentation for LLMs and AI code editors
Production-grade client-side tracing, profiling, and analysis for complex software systems.
Torch-native, batchable, atomistic simulations.
The architector python package - for 3D metal complex design. C22085
RAG on Everything with LEANN. Enjoy 97% storage savings while running a fast, accurate, and 100% private RAG application on your personal device.
Collection of awesome LLM apps with AI Agents and RAG using OpenAI, Anthropic, Gemini and opensource models.
torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.
Vim plugin for integrating Ollama based LLM (large language models)
Agentic framework for computational chemistry and materials science workflows
Converts an xyz file to an RDKit mol object
Collection of small examples for running on ALCF resources
Paper2Code is an open-source software project that implements a CrewAI system capable of generating code based on computational science academic papers.
Simple, unified interface to multiple Generative AI providers
Python Fire is a library for automatically generating command line interfaces (CLIs) from absolutely any Python object.
The complete stack for AI Engineers: framework, runtime and control plane.
Explainer for black box models that predict molecule properties
A simple screen parsing tool towards pure vision based GUI agent
An open-source alternative to OpenAI and Gemini's deep research.
User-friendly AI Interface (Supports Ollama, OpenAI API, ...)
This is a repository with examples to run inference endpoints on various ALCF clusters