OpenClaw

Drug Team

drug team

cheminem0 来源安装数☆ 0 仓库 Stars

查看来源 ↗安装与使用 SKILL.md ↗

安装与使用

请根据来源仓库和你的 AI 工具说明安装此技能。先阅读技能文件和依赖要求，再添加到工作流。

SkillHub CLI

skillhub install cheminem/drug-team

打开来源仓库，查看说明和兼容环境后，按来源提供的命令或步骤安装。

将来源链接提供给你的 Agent，让它先读取说明、核对依赖，并向你说明将执行的安装步骤。

查看来源 ↗使用指南

技能说明

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-...

来源信息

Source: github
Repository: openclaw/skills
Path: skills/cheminem/drug-team
Version: —
Commit: 19c0e7967e52dd3d77bb63c9e5f01e4a93ff50f2
分类来源: rules
状态: active
可见性: public

这些信息来自收录时的来源分析，可能滞后；使用前请核对最新来源文件。

来源内容

SKILL.md

# 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-...

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