← ClaudeAtlas

chembl-databaselisted

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.
BeyondTheProtocol/polaris · ★ 30 · Data & Documents · score 72
Install: claude install-skill BeyondTheProtocol/polaris
# 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. - **Output to File (Required)**: The `--output` flag is **required** for every subcommand. All JSON results are written to the specified file. After running the command, read the output file with jq or your own code to extract the data. List results are typically wrapped in a JSON array keyed by the endpoint name (e.g., `molecules`, `activities`). - **Notification**: If this skill is used, ensure this is mentioned in the output. ## Utility Script All ChEMBL API queries use one script with subcommands: ```bash uv run scripts/chembl_api.py <subcommand> --output <file> [options] ``` -----------------------------------