SandboxAQ

SandboxAQ MCP Server

A fully managed, per-tenant Model Context Protocol server that exposes SandboxAQ's proprietary scientific AI models as callable tools inside Claude and other MCP clients. It carries the aqcat tool (dense adsorption energy screening powered by the AQCat25-EV2 machine-learning potential) and the four AQPotency tools (single-pair potency prediction, library screening, panel scanning and selectivity) built on a proteochemometric model. Transport is Streamable HTTP; authentication is OAuth only — no static API keys are issued or accepted.

GitHub

Documentation

📖
Documentation
https://docs.aisim.sandboxaq.com/mcp

Other Resources

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MCPServer
https://raw.githubusercontent.com/api-evangelist/sandboxaq/refs/heads/main/mcp/sandboxaq-mcp.yml
🔗
ToolCrosswalk
https://raw.githubusercontent.com/api-evangelist/sandboxaq/refs/heads/main/mcp/sandboxaq-tool-crosswalk.yml

API entry from apis.yml

apis.yml Raw ↑ 
aid: sandboxaq:mcp-server
name: SandboxAQ MCP Server
description: A fully managed, per-tenant Model Context Protocol server that exposes SandboxAQ's proprietary
  scientific AI models as callable tools inside Claude and other MCP clients. It carries the aqcat tool
  (dense adsorption energy screening powered by the AQCat25-EV2 machine-learning potential) and the four
  AQPotency tools (single-pair potency prediction, library screening, panel scanning and selectivity)
  built on a proteochemometric model. Transport is Streamable HTTP; authentication is OAuth only — no
  static API keys are issued or accepted.
humanURL: https://docs.aisim.sandboxaq.com/mcp
baseURL: https://mcp.{tenant}.aisim.sandboxaq.com
tags:
- Model Context Protocol
- Agents
- Simulation
- Drug Discovery
- Materials Science
properties:
- type: MCPServer
  url: mcp/sandboxaq-mcp.yml
- type: ToolCrosswalk
  url: mcp/sandboxaq-tool-crosswalk.yml
- type: Documentation
  url: https://docs.aisim.sandboxaq.com/mcp