Resources · Claude connector

Claude SandboxAQ connectorWhat Claude can do in your SandboxAQ account.

The Claude SandboxAQ connector exposes 7 tools: 6 read, 0 write, 1 undocumented. They run the publisher's scientific models and bring the results back into the chat. Below: what Claude computes, where it gets stuck, and who can cut access.

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Overview

What changes for an R&D team

You describe your science question to Claude, it calls the matching SandboxAQ model and folds the result into its answer. The publisher presents its Large Quantitative Models as physics-based simulation combined with machine learning, and its docs describe the five model tools as read-only inference with no side effects.

Pre-screen a catalyst. For a given material, adsorbate and facet, AQCat tries several placements and returns the lowest binding energy, with the convergence status of each placement.

Rank a compound library. Against one target, AqpotencyScreen scores a library of SMILES strings (the text notation for a molecule) for virtual screening, up to 10,000 compounds.

Catch off-target risk. For one ligand, AqpotencyScan runs it against a chosen target panel, then AqpotencySelectivity puts a number on the gap between the intended target and a list of others.

What Claude doesn't do here: nothing fires on its own, every run follows a question you ask. You need an active SandboxAQ account, and the publisher bills each model by usage, separately from Claude. The docs also warn that the language model may answer from memory instead of calling the tool. For scheduled batch jobs, you want an automation tool; the Integrations page covers that side, and the other connectors sit under Claude connectors.

Vocabulary

The vocabulary in one minute

Five words worth knowing before you connect SandboxAQ.

Connector
The link you set up once between Claude and an account you already have, so Claude can work on it while it answers you.
Tool
One named action a connector opens to Claude. Claude picks the ones it needs on its own; the directory lists them by name.
Authorization
The service's own sign-in screen, where you hand Claude the access it will use. Granted once per person, and you can take it back.
Approval
The confirmation Claude waits for before finishing something that changes your account, shown in the chat right when it matters.
MCP
The common standard behind connectors: it's what lets an assistant like Claude hold a conversation with an outside service.
Connect

Connect SandboxAQ to Claude in three steps

  1. 01

    Find SandboxAQ

    In Claude's settings, open Customize, then Connectors, and spot SandboxAQ in the list. On a Team or Enterprise workspace, an Owner or Primary Owner has to enable it before each member can sign in.

  2. 02

    Start the connection

    Click Connect on its row, then sign in through the window the service opens itself. If the link breaks one day, hit Disconnect and connect again: that's the intended fix.

  3. 03

    Read the authorization screen

    Read the authorization screen before you approve. It belongs to the service, not to Claude, and it decides what the access covers. Per SandboxAQ, the account you sign in with is the SandboxAQ MCP Server account created on its platform.

Tools

The 7 tools, grouped by what they do

SandboxAQ gives Claude 7 tools: 6 that read your account, 0 that change something in it, and 1 no official source describes.

Five model tools, one tool that tracks runs, and one name nothing documents. Names stay exactly as Claude shows them.

  • 6 read
  • 1 not documented

What Claude computes and checks (6)

6 tools

The publisher's docs describe these as inference operations with no writes.

AQCat

Runs an automated adsorption screen for one bulk material, one adsorbate and one crystal facet, then reports the lowest binding energy across the placements it tried, with convergence for each one.

When it helps
several candidate surfaces are on the table and the ones that bind a molecule poorly should go first.
Watch out
one material, one adsorbate and one facet per request, and 5 placements at most per call.

Sourcedocs.aisim.sandboxaq.com · October 1, 2026 ↗

AqpotencyPotency

Predicts the pIC50 of a protein-ligand pair from a UniProt accession and a SMILES string. It's the simplest case: one protein, one molecule, one predicted potency value.

When it helps
one protein and one molecule are in question and a predicted potency is enough to decide the next step.
Watch out
the run is asynchronous: Claude first gets a job ID, and the result comes afterwards.

Sourcedocs.aisim.sandboxaq.com · October 1, 2026 ↗

AqpotencyScreen

Scores an uploaded SMILES library against a single target for virtual screening, up to 10,000 compounds.

When it helps
a library of compounds has to be narrowed down against one target.
Watch out
the publisher meters each model on its own unit, separately from Claude.

Sourcedocs.aisim.sandboxaq.com · October 1, 2026 ↗

AqpotencyScan

Runs one ligand against a curated target panel (human kinome, Bowes safety panel or proteome) for reverse screening and off-target triage.

When it helps
you want to see which other targets one ligand might hit before going further.
Watch out
only those three named panels are described in the publisher's documentation.

Sourcedocs.aisim.sandboxaq.com · October 1, 2026 ↗

AqpotencySelectivity

Computes on-target potency against a named list of off-targets, then the fold-selectivity between them, for a single ligand at a time.

When it helps
a compound's potency on its target has to be weighed against a list of targets you want to avoid.
Watch out
you supply the off-target list yourself; the tool doesn't pick it for you.

Sourcedocs.aisim.sandboxaq.com · October 1, 2026 ↗

Check Job Status

Tells where an AQPotency run stands, since those four tools first answer with a job ID. Per the publisher, the client handles the polling loop.

When it helps
a screen was started earlier and its status is still open.
Watch out
the publisher's docs spell it in lowercase with underscores, while the directory uses spaces.

Sourcedocs.aisim.sandboxaq.com · October 1, 2026 ↗

Undocumented (1)

1 tool

The directory publishes this name, and no official text says what it does. We won't guess from the label.

Check Job Results

This label sits in the directory's tool list, and no official source describes it. The publisher's docs do mention fetching a job's results, but under another name: nothing confirms it's this tool.

When it helps
nowhere for now, since neither SandboxAQ nor Anthropic publishes a description of it.
Watch out
whatever it does, the general approval rule covers it.
Approvals

What Claude asks before it acts

By default, Claude stops and asks for your go-ahead before any action it takes on an account for you. The request shows up in the chat, right when it matters.

No source describes a confirmation specific to any SandboxAQ tool, so that default rule is what applies. On a Team or Enterprise workspace, owners decide whether a member can let certain actions through without being asked again, and they can limit what a connector may do for the whole organization. Nobody overrides that from their own account. Finally, Claude works with your rights and nothing more.

Plans

Which plans include it

Out of 819 sheets in the official directory, none shows availability by plan. Connector by connector, the answer isn't published anywhere: it's a real gap in the catalogue.

The general rule is published: remote connectors are open to all users on Claude, Cowork, Claude Desktop and mobile. On Team and Enterprise, an Owner or Primary Owner turns the connector on for the organization before each member can connect. For the current status, the SandboxAQ sheet in the official directory is where to look.

Limits

Where SandboxAQ stops inside Claude

A connector isn't an automation. Claude calls these tools while it answers you: no run starts by itself when a new molecule lands in your database.

Only the publisher documents this connector: neither Claude's help center nor Anthropic's docs mention it. By default its sheet exposes reads only, which is an observed floor, not a guarantee. The directory's partner badge isn't a security audit, and Anthropic says so on every sheet: it doesn't choose the tools a publisher exposes and doesn't vouch for how they behave. Connect it only if you trust SandboxAQ itself.

Need help

Need help connecting SandboxAQ to Claude?

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FAQ

FAQ about the Claude SandboxAQ connector

01What can Claude do with the SandboxAQ connector?
Claude can run SandboxAQ's scientific models from the conversation and fold the results into its answer. One tool computes the adsorption energy of a molecule on a catalyst surface. Four more predict protein-ligand potency, screen a library against a target, scan one molecule across a target panel or measure its selectivity. Another one tracks the progress of those runs, and a seventh name isn't described anywhere, by the publisher or by Anthropic. The page lists all seven.
02Can Claude change data in my SandboxAQ account?
The publisher's documentation describes its five model tools as read-only inference operations, with no writes, modifications or outside side effects. The job tracker checks a status. So by default the sheet exposes reads only, but that's an observed floor: an administrator could open actions that appear on no public page. Each run is still billed by SandboxAQ, which is a very real consequence of asking. Keep that in mind before a large library screen.
03Does Claude ask before it starts a run?
By default, Claude asks for confirmation before any action it takes on an account for you. No source describes a confirmation specific to a SandboxAQ tool, so that general rule applies to screens and selectivity runs alike. On a Team or Enterprise workspace, owners can decide whether some actions go through without a prompt and limit what the connector may do for everyone in the organization. Members can't override that setting.
04Which plans is it available on?
No official source publishes availability by plan, connector by connector, and none of the 819 directory sheets shows it. The general rule is that remote connectors are open to all users on Claude, Cowork, Claude Desktop and mobile, with an Owner turning them on first on Team and Enterprise. The sheet in the official directory remains the only place that shows the current status for your account, so check it there.
05Does Claude see everything in my SandboxAQ account?
It sees what your account can reach, and nothing more. Claude works with the rights of the person who connected it, so what you can't access on SandboxAQ stays closed to it in the conversation. No source from the publisher details what else the account exposes, and the five model tools are described as read-only inference. On a Team or Enterprise workspace, an owner can also limit or close the connector for the whole organization, and nobody reopens it from their own account.
06Why doesn't Claude call the computation tool?
Because a language model decides on its own whether to call a tool, and SandboxAQ's documentation admits it sometimes answers from its own knowledge, even when the question clearly maps to a tool. On Claude Desktop, the publisher recommends turning off Lazy load tools in the connector settings, then restarting the app. It also documents a display glitch: after a disconnect and reconnect, the authorization popup can confirm the connection while the app still shows the connector as not connected. Its fix is to toggle the connector off and back on.
07Claude or an automation tool for screening molecules?
They don't do the same job. With the connector, you ask a science question and Claude runs the calculation at that moment, then folds the result into its answer. Nothing runs by itself afterwards: no screen starts when a new batch of molecules arrives. For a regular hands-off pipeline, you want an automation tool, and the two approaches work side by side rather than against each other. One answers a question, the other runs a routine.