后端与数据库

chembl-database

google-deepmind/science-skills

Query the ChEMBL database for bioactive molecules, drug targets, bioactivity data, approved drugs, and chemical structures. Use when the user asks about compounds, targets, IC50/Ki values, drug mechanisms, or structure searches.

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安装命令

npx skills add https://github.com/google-deepmind/science-skills --skill chembl-database

SKILL.md

ChEMBL Database Query

Prerequisites

  1. uv: Read the uv skill and follow its Setup instructions to ensure uv is installed and on PATH.
  2. User Notification: If .licenses/chembl_database_LICENSE.txt does not already exist in the workspace root directory then (1) prominently notify the user to check the terms at https://chembl.gitbook.io/chembl-interface-documentation/about, then (2) create the file recording the notification text and timestamp.

Core Rules

  • [!IMPORTANT] Use the Utility Scripts: You MUST ALWAYS use the provided utility script scripts/chembl_api.py for all ChEMBL API interactions, including checking status. NEVER use curl or custom Python requests to query the ChEMBL API directly. This ensures rate limit is enfoced and also retries on network errors.