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// Skill profile

drug-team

Meta-skill that orchestrates a team of specialized AI agents for drug design.

by cheminem · published 2026-03-22

图像生成API集成
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0
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Last updated
2026-03
// Install command
$ claw add gh:cheminem/cheminem-drug-team
View on GitHub
// Full documentation

# drug-team

Meta-skill that orchestrates a team of specialized AI agents for drug design.

Overview

  • **Purpose**: Designs novel drug candidates for a given target/indication with constraints (e.g., \"Design drug for pain relief, logP<3\").
  • **Agents**:
  • 1. **Chem Synth** (uses chemistry-query skill): Proposes molecular scaffolds and synthesis routes.

    2. **Synth Notebook** (uses synth-notebook skill): Visualizes routes, optimizes yields, checks safety.

    3. **Lab Inventory** (uses lab-inventory skill): Checks stock for reagents, estimates costs.

    4. **ADMET**: Predicts QED, SA, logP, TPSA, pKa using RDKit/ML proxies.

    5. **Tox**: Checks PAINS, Brenk alerts, Ames test.

    6. **Pharm**: Evaluates target binding affinity (docking proxy via web/tools).

    7. **Patent Scout** (uses patent_scout.py): Scans for prior art patents, computes novelty score, checks for blocking patents via web searches.

  • **Coordination**: Iterative polling and messaging between agents to refine candidates.
  • **Output**: Table of top 3 molecules (SMILES, route, scores) + visualizations (e.g., mol images).
  • Triggers

  • drug design
  • design drug
  • painkiller
  • drug synthesis
  • synth pharm
  • design molecule
  • \"low tox\" drug
  • inventory-aware design
  • design with stock check
  • check stock for synthesis
  • patent
  • novelty
  • prior art
  • Usage

    When triggered, runs `scripts/orchestrate.py \"{user_query}\"` .

    Integration

  • Integrates chemistry-query for initial scaffolds and routes.
  • Uses synth-notebook for route visualization, yield optimization, and safety checks.
  • Incorporates lab-inventory for reagent stock checking and cost estimation.
  • Ranks candidates including feasibility scores based on yield, safety (with SDS scans for route chemicals, risk scores, and alerts), and inventory availability.
  • Post-design patent scouting to include novelty scores and blocking status in candidate ranking (\"High novelty: no blocking patents\").
  • Dependencies

  • RDKit (installed)
  • chemistry-query skill (exists)
  • synth-notebook skill
  • lab-inventory skill
  • Matplotlib/Plotly for viz
  • OpenClaw subagent spawning
  • beautifulsoup4 for patent_scout scraping
  • // Comments
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