GROMACS Copilot is an agent designed to automate molecular dynamics simulations for proteins in water using GROMACS. It handles system setup, simulation execution, and result analysis automatically, providing outputs such as RMSD, RMSF, Rg, and H-bonds. Users can interact with the agent through prompts and API keys from DeepSeek and OpenAI. The tool aims to simplify the process of running MD simulations, allowing users to focus on other tasks while it handles the technical aspects of the simulations.

CrewAI is a cutting-edge framework designed to orchestrate role-playing autonomous AI agents. By fostering collaborative intelligence, CrewAI empowers agents to work together seamlessly, tackling complex tasks. It enables AI agents to assume roles, share goals, and operate in a cohesive unit, much like a well-oiled crew. Whether you're building a smart assistant platform, an automated customer service ensemble, or a multi-agent research team, CrewAI provides the backbone for sophisticated multi-agent interactions. With features like role-based agent design, autonomous inter-agent delegation, flexible task management, and support for various LLMs, CrewAI offers a dynamic and adaptable solution for both development and production workflows.

FuseMedML is a Python framework designed to accelerate machine learning-based discovery in the medical field by promoting code reuse. It provides a flexible design concept where data is stored in a nested dictionary, allowing easy handling of multi-modality information. The framework includes components for creating custom models, loss functions, metrics, and data processing operators. Additionally, FuseMedML offers 'batteries included' key components such as fuse.data for data processing, fuse.eval for model evaluation, and fuse.dl for reusable deep learning components. It supports PyTorch and PyTorch Lightning libraries and encourages the creation of domain extensions for specific medical domains.

Guardrails is a security tool designed to help developers identify and fix security vulnerabilities in their code. It provides automated scanning and analysis of code repositories to detect potential security issues, such as sensitive data exposure, injection attacks, and insecure configurations. By integrating Guardrails into the development workflow, teams can proactively address security concerns and reduce the risk of security breaches. The tool offers detailed reports and actionable recommendations to guide developers in remediation efforts, ultimately improving the overall security posture of the codebase. Guardrails supports multiple programming languages and frameworks, making it versatile and adaptable to different development environments. With its user-friendly interface and seamless integration with popular version control systems, Guardrails empowers developers to prioritize security without compromising productivity.

crewAI is a cutting-edge framework for orchestrating role-playing, autonomous AI agents. By fostering collaborative intelligence, CrewAI empowers agents to work together seamlessly, tackling complex tasks. It provides a flexible and structured approach to AI collaboration, enabling users to define agents with specific roles, goals, and tools, and assign them tasks within a customizable process. crewAI supports integration with various LLMs, including OpenAI, and offers features such as autonomous task delegation, flexible task management, and output parsing. It is open-source and welcomes contributions, with a focus on improving the library based on usage data collected through anonymous telemetry.

LLM-on-Ray is a comprehensive solution for building, customizing, and deploying Large Language Models (LLMs). It simplifies complex processes into manageable steps by leveraging the power of Ray for distributed computing. The tool supports pretraining, finetuning, and serving LLMs across various hardware setups, incorporating industry and Intel optimizations for performance. It offers modular workflows with intuitive configurations, robust fault tolerance, and scalability. Additionally, it provides an Interactive Web UI for enhanced usability, including a chatbot application for testing and refining models.

GuideLLM is a powerful tool for evaluating and optimizing the deployment of large language models (LLMs). By simulating real-world inference workloads, GuideLLM helps users gauge the performance, resource needs, and cost implications of deploying LLMs on various hardware configurations. This approach ensures efficient, scalable, and cost-effective LLM inference serving while maintaining high service quality. Key features include performance evaluation, resource optimization, cost estimation, and scalability testing.

Synthora is a lightweight and extensible framework for LLM-driven Agents and ALM research. It aims to simplify the process of building, testing, and evaluating agents by providing essential components. The framework allows for easy agent assembly with a single config, reducing the effort required for tuning and sharing agents. Although in early development stages with unstable APIs, Synthora welcomes feedback and contributions to enhance its stability and functionality.

Agent Lightning is a lightweight and efficient tool for automating repetitive tasks in the field of data analysis and machine learning. It provides a user-friendly interface to create and manage automated workflows, allowing users to easily schedule and execute data processing, model training, and evaluation tasks. With its intuitive design and powerful features, Agent Lightning streamlines the process of building and deploying machine learning models, making it ideal for data scientists, machine learning engineers, and AI enthusiasts looking to boost their productivity and efficiency in their projects.

Agent Development Kit (ADK) is an open-source, code-first Python toolkit for building, evaluating, and deploying sophisticated AI agents with flexibility and control. It is a flexible and modular framework optimized for Gemini and the Google ecosystem, but also compatible with other frameworks. ADK aims to make agent development feel more like software development, enabling developers to create, deploy, and orchestrate agentic architectures ranging from simple tasks to complex workflows.

This is the official repository for 'Alignment Data Synthesis from Scratch by Prompting Aligned LLMs with Nothing'. Magpie is a tool designed to synthesize high-quality instruction data at scale by extracting it directly from an aligned Large Language Models (LLMs). It aims to democratize AI by generating large-scale alignment data and enhancing the transparency of model alignment processes. Magpie has been tested on various model families and can be used to fine-tune models for improved performance on alignment benchmarks such as AlpacaEval, ArenaHard, and WildBench.

AI-Driven Research Assistant is an advanced AI-powered system utilizing specialized agents for data analysis, visualization, and report generation. It integrates LangChain, OpenAI's GPT models, and LangGraph for complex research processes. Key features include hypothesis generation, data processing, web search, code generation, and report writing. The system's unique Note Taker agent maintains project state, reducing overhead and improving context retention. System requirements include Python 3.10+ and Jupyter Notebook environment. Installation involves cloning the repository, setting up a Conda virtual environment, installing dependencies, and configuring environment variables. Usage instructions include setting data, running Jupyter Notebook, customizing research tasks, and viewing results. Main components include agents for hypothesis generation, process supervision, visualization, code writing, search, report writing, quality review, and note-taking. Workflow involves hypothesis generation, processing, quality review, and revision. Customization is possible by modifying agent creation and workflow definition. Current issues include OpenAI errors, NoteTaker efficiency, runtime optimization, and refiner improvement. Contributions via pull requests are welcome under the MIT License.

Tara is a powerful node for ComfyUI that integrates Large Language Models (LLMs) to enhance and automate workflow processes. With Tara, you can create complex, intelligent workflows that refine and generate content, manage API keys, and seamlessly integrate various LLMs into your projects. It comprises nodes for handling OpenAI-compatible APIs, saving and loading API keys, composing multiple texts, and using predefined templates for OpenAI and Groq. Tara supports OpenAI and Grok models with plans to expand support to together.ai and Replicate. Users can install Tara via Git URL or ComfyUI Manager and utilize it for tasks like input guidance, saving and loading API keys, and generating text suitable for chaining in workflows.

VoiceStreamAI is a Python 3-based server and JavaScript client solution for near-realtime audio streaming and transcription using WebSocket. It employs Huggingface's Voice Activity Detection (VAD) and OpenAI's Whisper model for accurate speech recognition. The system features real-time audio streaming, modular design for easy integration of VAD and ASR technologies, customizable audio chunk processing strategies, support for multilingual transcription, and secure sockets support. It uses a factory and strategy pattern implementation for flexible component management and provides a unit testing framework for robust development.

Tiger is a community-driven project developing a reusable and integrated tool ecosystem for LLM Agent Revolution. It utilizes Upsonic for isolated tool storage, profiling, and automatic document generation. With Tiger, you can create a customized environment for your agents or leverage the robust and publicly maintained Tiger curated by the community itself.

BitMat is a Python package designed to optimize matrix multiplication operations by utilizing custom kernels written in Triton. It leverages the principles outlined in the "1bit-LLM Era" paper, specifically utilizing packed int8 data to enhance computational efficiency and performance in deep learning and numerical computing tasks.

GROMACS Copilot is an agent designed to automate molecular dynamics simulations for proteins in water using GROMACS. It handles system setup, simulation execution, and result analysis automatically, providing outputs such as RMSD, RMSF, Rg, and H-bonds. Users can interact with the agent through prompts and API keys from DeepSeek and OpenAI. The tool aims to simplify the process of running MD simulations, allowing users to focus on other tasks while it handles the technical aspects of the simulations.

AlphaFold3 is an implementation of the Alpha Fold 3 model in PyTorch for accurate structure prediction of biomolecular interactions. It includes modules for genetic diffusion and full model examples for forward pass computations. The tool allows users to generate random pair and single representations, operate on atomic coordinates, and perform structure predictions based on input tensors. The implementation also provides functionalities for training and evaluating the model.

Generative AI models have shown tremendous usefulness in increasing accessibility and automation of a wide range of tasks. This repository contains the `biochatter` Python package, a generic backend library for the connection of biomedical applications to conversational AI. It aims to provide a common framework for deploying, testing, and evaluating diverse models and auxiliary technologies in the biomedical domain. BioChatter is part of the BioCypher ecosystem, connecting natively to BioCypher knowledge graphs.

ADMET-AI is a platform for ADMET prediction using Chemprop-RDKit models trained on ADMET datasets from the Therapeutics Data Commons. It offers command line, Python API, and web server interfaces for making ADMET predictions on new molecules. The platform can be easily installed using pip and supports GPU acceleration. It also provides options for processing TDC data, plotting results, and hosting a web server. ADMET-AI is a machine learning platform for evaluating large-scale chemical libraries.

AI-Drug-Discovery-Design is a repository focused on Artificial Intelligence-assisted Drug Discovery and Design. It explores the use of AI technology to accelerate and optimize the drug development process. The advantages of AI in drug design include speeding up research cycles, improving accuracy through data-driven models, reducing costs by minimizing experimental redundancies, and enabling personalized drug design for specific patients or disease characteristics.

NVIDIA BioNeMo Framework is a collection of programming tools, libraries, and models for computational drug discovery. It accelerates building and adapting biomolecular AI models by providing domain-specific, optimized models and tooling for GPU-based computational resources. The framework offers comprehensive documentation and support for both community and enterprise users.

New AI Drug Discovery is a repository focused on the applications of Large Language Models (LLM) in drug discovery. It provides resources, tools, and examples for leveraging LLM technology in the pharmaceutical industry. The repository aims to showcase the potential of using AI-driven approaches to accelerate the drug discovery process, improve target identification, and optimize molecular design. By exploring the intersection of artificial intelligence and drug development, this repository offers insights into the latest advancements in computational biology and cheminformatics.

GROMACS Copilot is an agent designed to automate molecular dynamics simulations for proteins in water using GROMACS. It handles system setup, simulation execution, and result analysis automatically, providing outputs such as RMSD, RMSF, Rg, and H-bonds. Users can interact with the agent through prompts and API keys from DeepSeek and OpenAI. The tool aims to simplify the process of running MD simulations, allowing users to focus on other tasks while it handles the technical aspects of the simulations.

Biomni is a general-purpose biomedical AI agent designed to autonomously execute a wide range of research tasks across diverse biomedical subfields. By integrating cutting-edge large language model (LLM) reasoning with retrieval-augmented planning and code-based execution, Biomni helps scientists dramatically enhance research productivity and generate testable hypotheses.