Chemistry & Drug Discovery agents

A virtual lab of LLM agents for science research

TxAgent: An AI Agent for Therapeutic Reasoning Across a Universe of Tools

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Molecular dynamics simulations with an LLM agent

OriGene: A Self-Evolving Virtual Disease Biologist for Mechanism-Guided Therapeutic Target Discovery

Agentic framework for computational chemistry and materials science workflows

💊 AI Research Assistant for Accelerated Drug Discovery. 🦞

🦀 Agentic RAG for drug intelligence · 57 skills · 15 task categories · DTI · ADR · DDI · PGx · Repurposing · Powered by LangGraph

AI Agents for drug discovery, drug development, and other pharmaceutical R&D

MatClaw: an open materials-science agent that turns natural-language tasks into reproducible simulation workflows.

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ChemClaw — The first chemistry-native AI agent skill library.

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Multi-agent AI system for drug-target identification and due diligence.

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A web application that serves as an interface between a user and EnzyHTP's workflows.

A multimodal agent for automatic molecular data processing

AgentMol: multimodel AI system for automatic drug-target identification and molecule development.