zjunlp/scp-yasascore

SCP-YaSAScore (SciGraph) MCP client

What this SCP is

YaSAScore Reaction Knowledge Graph is built from chemical reaction data to support prediction of compound synthesis accessibility (SA). It integrates reactions from USPTO and Pistachio into a directed molecular network: compounds are nodes and reactions define directed edges from reactants to products.

The graph supports shortest-path-based estimation of synthetic complexity and is used as a foundation for training/benchmarking ML models such as CMPNN and SYBA-2.

Connection info

• MCP server URL:
  • https://scp.intern-ai.org.cn/api/v1/mcp/37/SciGraph
• Auth header:
  • SCP-HUB-API-KEY: {API-KEY}

Install

pip install mcp

Configure (MCP config JSON)

{
  "mcpServers": {
    "SciGraph": {
      "type": "streamableHttp",
      "description": "这是一款面向科学研究的统一知识查询服务，集成了化学、生物等多个学科领域的知识图谱数据，支持跨学科知识检索、实体关系查询、领域知识问答等操作",
      "url": "https://scp.intern-ai.org.cn/api/v1/mcp/37/SciGraph",
      "headers": {
        "SCP-HUB-API-KEY": "{API-KEY}"
      }
    }
  }
}

Tools

query_cypher

Execute a Cypher query and return JSON results.

Arguments:

• cypher (string, required)
• kg_name (string|null, optional, default null)
• limit (int, optional, default 100)

Example arguments (YaSAScore):

{
  "cypher": "MATCH (e:Experiment:YaSAScore) RETURN e.id as experiment_id",
  "kg_name": "YaSAScore",
  "limit": 5
}

get_kg_statistics

Return graph statistics.

Example arguments:

{ "kg_name": "YaSAScore" }

get_entity_details

Return entity details.

Example arguments:

{ "entity_identifier": "experiment_1", "kg_name": "YaSAScore" }

get_experiment_workflow

Return the full workflow of an experiment.

Example arguments:

{ "experiment_id": "experiment_1" }

Python example (streamable HTTP)

import asyncio
import json
from mcp.client.streamable_http import streamablehttp_client
from mcp.client.session import ClientSession

SERVER_URL = "https://scp.intern-ai.org.cn/api/v1/mcp/37/SciGraph"

async def main():
    transport = streamablehttp_client(
        url=SERVER_URL,
        headers={"SCP-HUB-API-KEY": "sk-xxx"},
    )
    read, write, get_session_id = await transport.__aenter__()

    session_ctx = ClientSession(read, write)
    session = await session_ctx.__aenter__()
    await session.initialize()

    # Example: stats for YaSAScore
    result = await session.call_tool(
        "get_kg_statistics",
        arguments={"kg_name": "YaSAScore"},
    )
    data = json.loads(result.content[0].text)
    print(data)

    await session_ctx.__aexit__(None, None, None)
    await transport.__aexit__(None, None, None)

if __name__ == "__main__":
    asyncio.run(main())

Citation

Li, B., & Chen, H. (2022). Prediction of compound synthesis accessibility based on reaction knowledge graph. Molecules, 27(3), 1039. https://doi.org/10.3390/molecules27031039

Reference

For the full scraped page text, read:

• references/source.md