> ## Documentation Index
> Fetch the complete documentation index at: https://docs.aisim.sandboxaq.com/llms.txt
> Use this file to discover all available pages before exploring further.

# Quickstart

> Connect the SandboxAQ MCP Server to your MCP client and run your first calculation in minutes.

<Tip>
  **\$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.
</Tip>

<Steps>
  <Step title="Sign up">
    Register at [platform.aisim.sandboxaq.com/signin](https://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**.
  </Step>

  <Step title="Copy your MCP URL">
    Your MCP server URL is `https://mcp.platform.aisim.sandboxaq.com`.
  </Step>

  <Step title="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.
  </Step>
</Steps>

<Tabs>
  <Tab title="Claude Desktop / claude.ai" icon="https://mintcdn.com/aisim/hW4dP1Dql2QsYQ2U/images/claude-desktop.svg?fit=max&auto=format&n=hW4dP1Dql2QsYQ2U&q=85&s=c497e3e9d202ed98ab163c4f5e1e95cb" width="32" height="32" data-path="images/claude-desktop.svg">
    <Steps>
      <Step title="Add the connector">
        Open [claude.ai/customize/connectors](https://claude.ai/customize/connectors) — or profile icon → **Settings → Customize → Connectors**. Click **Add → Browse connectors**, search **SandboxAQ**, click **Connect**, paste your MCP URL, then **Continue**.
      </Step>

      <Step title="Authenticate">
        Click **Allow Access** and sign in.
      </Step>

      <Step title="Enable it">
        In a chat, click **+ → Connectors** and toggle **SandboxAQ** on.
      </Step>
    </Steps>

    <Warning>
      **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.
    </Warning>
  </Tab>

  <Tab title="Claude Science" icon="https://mintcdn.com/aisim/hW4dP1Dql2QsYQ2U/images/claude-science.svg?fit=max&auto=format&n=hW4dP1Dql2QsYQ2U&q=85&s=814bbe6e95c7d0f1ede545723467c948" width="32" height="32" data-path="images/claude-science.svg">
    Inherits the connector from your Claude account — do the **Claude Desktop / claude.ai** tab first.

    <Steps>
      <Step title="Install and sign in">
        Install from [claude.com/product/claude-science](https://claude.com/product/claude-science), launch, and choose **Sign in with Claude.ai**.
      </Step>

      <Step title="Authorize">
        Click **Authorize** — the app needs **Use and manage your connectors**.
      </Step>

      <Step title="Confirm the connector">
        During onboarding, confirm **SandboxAQ** is on under **Connectors & skills**.
      </Step>
    </Steps>

    <Warning>
      **Tool invocation is inconsistent on Claude Science, and `Screen` is unavailable** because file upload is not supported. See [Platform Compatibility](/mcp-server/platform-compatibility).
    </Warning>
  </Tab>

  <Tab title="Claude Code" icon="https://mintcdn.com/aisim/hW4dP1Dql2QsYQ2U/images/claude-code.svg?fit=max&auto=format&n=hW4dP1Dql2QsYQ2U&q=85&s=7009398cc9eef9d12ba222cb3b186b5f" width="32" height="32" data-path="images/claude-code.svg">
    <Warning>
      **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.

      ```bash theme={null}
      export ENABLE_TOOL_SEARCH=true

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

    <Steps>
      <Step title="Register and restart">
        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.
      </Step>

      <Step title="Authenticate">
        Run `/mcp`, select `sandboxaq-mcp`, choose **Authenticate**, then **Allow Access** and sign in.
      </Step>

      <Step title="Confirm the connection">
        Re-run `/mcp` — `sandboxaq-mcp` should now show as authenticated and list its tools.
      </Step>
    </Steps>
  </Tab>

  <Tab title="Antigravity" icon="https://mintcdn.com/aisim/RmOVSYNzKs_1Be6i/images/antigravity.svg?fit=max&auto=format&n=RmOVSYNzKs_1Be6i&q=85&s=08f657cdfde12f9740e554d23fa3662d" width="32" height="32" data-path="images/antigravity.svg">
    <Steps>
      <Step title="Open the raw MCP config">
        In the **Agent** panel, click the **⋯** menu, then **MCP Servers → Manage MCP Servers → View raw config**.
      </Step>

      <Step title="Add the server">
        Add the entry below and save. Antigravity uses `serverUrl` — not `url`.

        ```json theme={null}
        {
          "mcpServers": {
            "sandboxaq-mcp": {
              "serverUrl": "https://mcp.platform.aisim.sandboxaq.com"
            }
          }
        }
        ```
      </Step>

      <Step title="Refresh and authenticate">
        Click **Refresh** in the Installed MCP Servers list, then complete the OAuth prompt when it appears.
      </Step>
    </Steps>
  </Tab>
</Tabs>

[Full setup guide →](/getting-started/connect-client)

**Try it:**

```text theme={null}
Predict the binding potency of CC1=CC=C(C=C1)S(=O)(=O)N against protein P00533
```

```text theme={null}
Scan CC1=CC=C(C=C1)S(=O)(=O)N against the human_kinome
```

```text theme={null}
 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)

<Note>
  **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](/mcp-server/platform-compatibility) before committing to a client.
</Note>

Costs, expected output, and more prompts: [Run your first query](/getting-started/connect-client#run-your-first-query). Parameter references: [AQPotency](/models/aqpotency) and [AQCat](/models/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](/mcp-server/mcp-server#troubleshooting) or email [support.aisim@sandboxaq.com](mailto:support.aisim@sandboxaq.com).