Overview

Repuragent is an Agentic AI system for Drug Repurposing. It uses Agentic Supervisor architecture at its core, where the supervisor agent drives a team of five specialised agents, including a planning agent, a prediction agent, a research agent, a data agent, and a report agent. These agents dynamically plan the execution, run ADMET models, mine biomedical literature, traverse curated knowledge graphs, generate and execute Python code, and write human-readable reports. This chapter orients you before you dive into edition-specific guides.

1.1 What the Repuragent delivers

  • Autonomous planning
    The planning agent decomposes the user’s question into a sequence of actions, enriched by Standard Operating Procedures (SOPs) and episodic memory of prior successful workflows.

  • Evidence gathering
    The research agent queries literature on PubMed, searches the SOPs vault, and builds knowledge graphs (KG) to surface drugs, proteins, and pathways.

  • Predictive modeling
    The prediction agent calls pretrained CPSign classifiers/regressors to produce ADMET properties predictions.

  • Data/analysis automation
    The data agent executes safety-controlled Python code snippets (pandas, RDKit, scikit-learn, etc) directly inside the task workspace.

  • Reporting and oversight
    The UI and supervisor agent design ensures every executed step is traceable, can be paused for human approval when needed, and that the report agent synthesises the entire task run at the end.

1.2 Two Versions

  • Local app: the GitHub Repo that you clone, build and run in Docker Container, and keep input/ouput, files, conversation history entirely on your device. Nothing leaves your machine beyond the API calls authorised by your own OPENAI_API_KEY. Use the Local App Guide when you want full control and private processing (requires your own OpenAI API key).

  • Web app: hosted at repuragent.serve.scilifelab.se. It uses the same core with Local, but is deployed on the SciLifeLab Serve infrastructure for multiple users. No installation is required for this version. Use the Web App Guide for instant use without managing hardware.

1.3 Feature Comparison

Capability

Local app

Web app

Distribution

GitHub source; run it with Docker

Hosted service

Authentication

None (single-user)

Email + password

Short-term memory

Local SQLite

Supabase PostgreSQL

Long-term/episodic memory

Chroma DB

Chroma DB

Extra dependencies

Docker Desktop, OPENAI_API_KEY, optional LangSmith keys

NO