Quickstart

$2,000 in free credits for your first 30 days — about 2,000 AQCat runs or 2 million AQPotency protein–ligand pairs. Billing starts once your credits run out.

Register at platform.aisim.sandboxaq.com/signin (enter your email and click the verification link sent to your inbox, or sign in with Google), accept the subscription terms to activate your account, and add a payment method. Already signed in from the portal? Skip to Copy your MCP URL.

Copy your MCP URL

Your MCP server URL is:

https://mcp.platform.aisim.sandboxaq.com

To confirm it, click Copy MCP URL (top-right), or open Account → MCP.

Pick your client

Setup differs by client. Pick yours below — Claude Desktop / claude.ai, Claude Science, Claude Code, or Antigravity. Claude Science builds on the Claude Desktop / claude.ai connector, so start with that tab.

Claude Desktop / claude.ai
Claude Science
Claude Code
Antigravity

Add the connector

Open claude.ai/customize/connectors — or profile icon → Settings → Customize → Connectors. Click Add → Browse connectors, search SandboxAQ, click Connect, paste your MCP URL, then Continue.

Authenticate

Click Allow Access and sign in.

Enable it

In a chat, click + → Connectors and toggle SandboxAQ on.

Turn off “Lazy load tools.” Lazy loading defers the tool schemas until Claude thinks it needs them, which makes tool selection less reliable. In Settings → Connectors → SandboxAQ MCP Server, set Lazy load tools to off and restart Claude.

Inherits the connector from your Claude account — do the Claude Desktop / claude.ai tab first.

Install and sign in

Install from claude.com/product/claude-science, launch, and choose Sign in with Claude.ai.

Authorize

Click Authorize — the app needs Use and manage your connectors.

Confirm the connector

During onboarding, confirm SandboxAQ is on under Connectors & skills.

Tool invocation is inconsistent on Claude Science, and Screen is unavailable because file upload is not supported. See Platform Compatibility.

Set ENABLE_TOOL_SEARCH=true before you launch Claude Code. There is no lazy-load toggle in the UI — tool discovery is controlled by this environment variable, and without it Claude Code may never fetch the tool schemas.

export ENABLE_TOOL_SEARCH=true

# Or add to the server entry in .mcp.json / ~/.claude.json:
#   "env": { "ENABLE_TOOL_SEARCH": "true" }

Run claude mcp add sandboxaq-mcp --transport http https://mcp.platform.aisim.sandboxaq.com. Claude Code asks where to register it — choose user scope to make the server available in every directory, not just this one. Restart Claude Code so it picks up the new configuration.

Authenticate

Run /mcp, select sandboxaq-mcp, choose Authenticate, then Allow Access and sign in.

Confirm the connection

Re-run /mcp — sandboxaq-mcp should now show as authenticated and list its tools.

Open the raw MCP config

In the Agent panel, click the ⋯ menu, then MCP Servers → Manage MCP Servers → View raw config.

Add the server

Add the entry below and save. Antigravity uses serverUrl — not url.

{
  "mcpServers": {
    "sandboxaq-mcp": {
      "serverUrl": "https://mcp.platform.aisim.sandboxaq.com"
    }
  }
}

Refresh and authenticate

Click Refresh in the Installed MCP Servers list, then complete the OAuth prompt when it appears.

Full setup guide → Try it:

Predict the binding potency of CC1=CC=C(C=C1)S(=O)(=O)N against protein P00533

Scan CC1=CC=C(C=C1)S(=O)(=O)N against the human_kinome

 Use the AQCat tool to find the lowest-binding-energy configuration for N₂ adsorbed
 on a cobalt-nickel (111) surface. Report the binding energy of the winning placement
 and confirm whether the relaxation converged.

What you get

The SandboxAQ MCP Server exposes five tools, all invoked for you — describe the result and your client picks the tool and fills in the parameters:

AQPotency:
- Potency (one compound × one protein)
- Screen (many compounds × one target — up to 10,000)
- Scan (one compound × many targets — a curated panel or the proteome)
- Selectivity (vs. named off-targets)
AQCat
- Adsorption (adsorbate on a catalyst surface, in eV)

Not every tool works on every client. Screen needs file upload, which Claude Science and Antigravity do not support, and tool invocation is less reliable on both than on Claude Desktop, claude.ai, or Claude Code. Check Platform Compatibility before committing to a client.

Costs, expected output, and more prompts: Run your first query. Parameter references: AQPotency and AQCat.

Not working?

Usually the server is connected but you’re not signed in — authentication is a separate step. Re-run it for your client, then ask “What tools do you have available from SandboxAQ?” If your client answers but names no SandboxAQ tools, the schemas never loaded — turn Lazy load tools off in Claude Desktop, or set ENABLE_TOOL_SEARCH=true before launching Claude Code. Still stuck (connector disconnected, 402 errors, no tool calls)? See Troubleshooting or email support.aisim@sandboxaq.com.

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What you get

Not working?

​What you get

​Not working?

What you get

Not working?