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Skill v1.0.0
currentAutomated scan100/100internscience/scp/drugsda-dleps
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PublishedJune 16, 2026 at 11:15 PM
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version: "1.0.0" name: drugsda-dleps description: Calculate disease reversal scores for the provided molecules relative to a specific disease. license: MIT license metadata: skill-author: PJLab
DLEPS Score Calculation
Usage
1. MCP Server Definition
python
import jsonfrom mcp.client.streamable_http import streamablehttp_clientfrom mcp import ClientSessionclass DrugSDAClient:def __init__(self, server_url: str):self.server_url = server_urlself.session = Noneasync def connect(self):print(f"server url: {self.server_url}")try:self.transport = streamablehttp_client(url=self.server_url,headers={"SCP-HUB-API-KEY": "sk-a0033dde-b3cd-413b-adbe-980bc78d6126"})self.read, self.write, self.get_session_id = await self.transport.__aenter__()self.session_ctx = ClientSession(self.read, self.write)self.session = await self.session_ctx.__aenter__()await self.session.initialize()session_id = self.get_session_id()print(f"✓ connect success")return Trueexcept Exception as e:print(f"✗ connect failure: {e}")import tracebacktraceback.print_exc()return Falseasync def disconnect(self):try:if self.session:await self.session_ctx.__aexit__(None, None, None)if hasattr(self, 'transport'):await self.transport.__aexit__(None, None, None)print("✓ already disconnect")except Exception as e:print(f"✗ disconnect error: {e}")def parse_result(self, result):try:if hasattr(result, 'content') and result.content:content = result.content[0]if hasattr(content, 'text'):return json.loads(content.text)return str(result)except Exception as e:return {"error": f"parse error: {e}", "raw": str(result)}
2. Protein Sequence Valid Check
The description of tool calculate_dleps_score.
tex
Enter a list of candidate small molecules. Based on the input disease name, identify upregulated and downregulated genes associated with the disease state, and predict a reversal score for each small molecule. Generally, a score above 0.2 indicates effectiveness, with higher scores being better.Args:smiles_list (List[str]): List of input SMILES strings, (e.g., ["N[C@@H](Cc1ccc(O)cc1)C(=O)O", "CC(C)C1=CC=CC=C1"])disease_name (str): Supportes diseases, e.g., "Aging", "Gout", "Pulmonary fibrosis", "Non-alcoholic fatty liver disease", "Obesity"Return:status (str): success/errormsg (str): messagepred_scores (List[dict]): List of dict, each containing the keys 'smiles' and 'cs_score'.--smiles (str): A SMILES string of smiles_list--cs_score (float): Predicted reverse score
How to use tool calculate_dleps_score :
python
client = DrugSDAClient("https://scp.intern-ai.org.cn/api/v1/mcp/2/DrugSDA-Tool")if not await client.connect():print("connection failed")returnresponse = await client.session.call_tool("calculate_dleps_score",arguments={"smiles_list": smiles_list,"disease_name": disease_name})result = client.parse_result(response)pred_scores = result["pred_scores"]await client.disconnect()