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.

Chroma is an open-source embedding database that provides a simple, scalable, and feature-rich way to build Python or JavaScript LLM apps with memory. It offers a fully-typed, fully-tested, and fully-documented API that makes it easy to get started and scale your applications. Chroma also integrates with popular tools like LangChain and LlamaIndex, and supports a variety of embedding models, including Sentence Transformers, OpenAI embeddings, and Cohere embeddings. With Chroma, you can easily add documents to your database, query relevant documents with natural language, and compose documents into the context window of an LLM like GPT3 for additional summarization or analysis.

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.

HF-LLM.rs is a CLI tool for accessing Large Language Models (LLMs) like Llama 3.1, Mistral, Gemma 2, Cohere and more hosted on Hugging Face. It allows interaction with various models, providing input and receiving responses in a terminal environment. Users can select models, input prompts, receive streaming output, and engage in chat mode. The tool supports a variety of models available on Hugging Face infrastructure, with the list continuously updated. Some models may require a Pro subscription for access.

draive is an open-source Python library designed to simplify and accelerate the development of LLM-based applications. It offers abstract building blocks for connecting functionalities with large language models, flexible integration with various AI solutions, and a user-friendly framework for building scalable data processing pipelines. The library follows a function-oriented design, allowing users to represent complex programs as simple functions. It also provides tools for measuring and debugging functionalities, ensuring type safety and efficient asynchronous operations for modern Python apps.

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.

The AI Scientist is a comprehensive system for fully automatic scientific discovery, enabling Foundation Models to perform research independently. It aims to tackle the grand challenge of developing agents capable of conducting scientific research and discovering new knowledge. The tool generates papers on various topics using Large Language Models (LLMs) and provides a platform for exploring new research ideas. Users can create their own templates for specific areas of study and run experiments to generate papers. However, caution is advised as the codebase executes LLM-written code, which may pose risks such as the use of potentially dangerous packages and web access.

uAgents is a Python library developed by Fetch.ai that allows for the creation of autonomous AI agents. These agents can perform various tasks on a schedule or take action on various events. uAgents are easy to create and manage, and they are connected to a fast-growing network of other uAgents. They are also secure, with cryptographically secured messages and wallets.

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.

The Codebase Context Specification (CCS) project aims to standardize embedding contextual information within codebases to enhance understanding for both AI and human developers. It introduces a convention similar to `.env` and `.editorconfig` files but focused on documenting code for both AI and humans. By providing structured contextual metadata, collaborative documentation guidelines, and standardized context files, developers can improve code comprehension, collaboration, and development efficiency. The project includes a linter for validating context files and provides guidelines for using the specification with AI assistants. Tooling recommendations suggest creating memory systems, IDE plugins, AI model integrations, and agents for context creation and utilization. Future directions include integration with existing documentation systems, dynamic context generation, and support for explicit context overriding.

Upsonic offers a cutting-edge enterprise-ready framework for orchestrating LLM calls, agents, and computer use to complete tasks cost-effectively. It provides reliable systems, scalability, and a task-oriented structure for real-world cases. Key features include production-ready scalability, task-centric design, MCP server support, tool-calling server, computer use integration, and easy addition of custom tools. The framework supports client-server architecture and allows seamless deployment on AWS, GCP, or locally using Docker.

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.