internscience/scp/chembl-molecule-search

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Search ChEMBL database for molecule information by name to retrieve bioactivity data and chemical structures.

Install

npx vskill@latest install internscience/scp/chembl-molecule-search

SKILL.md

ChEMBL Molecule Search

Usage

1. MCP Server Definition
python
import asyncio
import json
from mcp.client.streamable_http import streamablehttp_client
from mcp import ClientSession
class OrigeneClient:
"""Origene-ChEMBL MCP Client"""
def __init__(self, server_url: str, api_key: str):
self.server_url = server_url
self.api_key = api_key
self.session = None
async def connect(self):
try:
self.transport = streamablehttp_client(
url=self.server_url,
headers={"SCP-HUB-API-KEY": self.api_key}
)
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()
return True
except Exception as e:
print(f"✗ connect failure: {e}")
return False
async 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)
except Exception as e:
print(f"✗ disconnect error: {e}")
def parse_result(self, result):
if isinstance(result, dict):
content_list = result.get("content") or []
else:
content_list = getattr(result, "content", []) or []
texts = []
for item in content_list:
if isinstance(item, dict):
if item.get("type") == "text":
texts.append(item.get("text") or "")
else:
if getattr(item, "type", None) == "text":
texts.append(getattr(item, "text", "") or "")
return "".join(texts)
2. ChEMBL Molecule Search Workflow

Implementation:

python
## Initialize client
client = OrigeneClient(
"https://scp.intern-ai.org.cn/api/v1/mcp/4/Origene-ChEMBL",
"<your-api-key>"
)
if not await client.connect():
print("connection failed")
exit()
## Search for molecule by name
result = await client.session.call_tool(
"get_molecule_by_name",
arguments={
"molecule_name": "aspirin"
}
)
result_data = client.parse_result(result)
print(result_data)
await client.disconnect()
Tool Descriptions

Origene-ChEMBL Server:

  • get_molecule_by_name: Search ChEMBL for molecule information
  • Args:
  • molecule_name (str): Molecule name to search
  • Returns: ChEMBL molecule data including structure and bioactivity
Use Cases
  • Drug discovery research
  • Bioactivity data retrieval
  • Chemical structure lookup
  • Target-based screening

Security

  • Security scanPassed, 100 of 100Pattern checks on the skill's files.
  • Model reviewPassed

Quality evaluation

  • Task evaluationNot runNo evaluation yet. Run one in Skill Studio.

Source

Popularity

Repository stars
150
Repository forks
10
7-day trend score
25

Stars and forks are for the whole GitHub repository, not this skill alone. Refreshed 19 Mar 2026, 7 months ago.

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