SandboxAQ agent skills for Claude Code, Cursor and RevampKey

3 ready-made playbooks that teach an AI agent how to do real SandboxAQ work: which tools to call, what to check first, and when to stop and ask you.

Download RevampKey, free I have it: connect SandboxAQ

Connect SandboxAQ once and all 3 skills install themselves and stay up to date. Mac, Windows and Linux.

All 3 SandboxAQ skills

Each skill is one job. You ask in plain words and the agent loads the skill that matches, then follows its steps.

Start hereRead-only5 SandboxAQ tools

Use the SandboxAQ connector safely

Connects your AI assistant to SandboxAQ's scientific models, confirms the account and tier first, and asks before any billed run starts.

Use it when

You want to run a SandboxAQ simulation from a chat
You need to check the status or results of a SandboxAQ job
You are unsure which SandboxAQ model fits your question

Tools it uses

AQCat
AqpotencyPotency
AqpotencyScreen
AqpotencyScan
AqpotencySelectivity

Example

Check whether my SandboxAQ account is on the Individual tier, then run a single protein–ligand potency check for my candidate against EGFR.

Your account is on the Individual self-serve tier with $100 in free credits. I can run one AqpotencyPotency check for your candidate against EGFR. It is a single pair, so it is the cheapest first step. Shall I submit it?

Use in RevampKeyRead the full skill →

Read-only4 SandboxAQ tools

Rank protein-ligand potency with AI

Plans and runs AQPotency triage: picks a single pair, library screen, panel scan or selectivity profile, sequences runs to control cost, and returns a ranked shortlist with caveats. It asks before any run is submitted.

Use it when

You have a library of compounds and want the next few to test against a target.
You need to check whether a hit binds other proteins in a panel.
You want to confirm a lead prefers its intended target over related off-targets.

Tools it uses

AqpotencyPotency
AqpotencyScreen
AqpotencyScan
AqpotencySelectivity

Example

Rank these 200 ligands against my kinase target, then check the top 10 across a 12-protein off-target panel.

The plan is 200 ligands on the primary target, which is 200 pairs, then 10 ligands across 12 proteins, which is 120 pairs, for 320 pairs total. I'd run a 10-ligand pilot first to check the inputs. Once the pilot looks sane, I'll propose the full screen and wait for your go-ahead before submitting it.

Use in RevampKeyRead the full skill →

Read-only1 SandboxAQ tools

Run an AQCat adsorption screen with AI

Frames a catalyst and adsorbate question, submits an AQCat adsorption run, tracks it with the job tools, and reads the results back as a ranked pre-screen. Asks before any run that creates a billable job.

Use it when

You want to pre-screen candidate catalyst surfaces for a specific adsorbate before committing to DFT.
You have a list of materials and need them ranked against a reference you trust.
You are tracking an AQCat job that has been running and want to know its status and results.

Tools it uses

AQCat

Example

Screen these six Cu-based alloy surfaces for CO adsorption, using pure Cu as the baseline, and tell me which two to take to DFT.

I would submit a pilot on three surfaces, including pure Cu, and wait for your yes before running the full six. Once the job completes, I will rank the alloys by CO adsorption energy relative to Cu and flag any value that looks like a bad geometry. The output will be a shortlist of two for DFT, with a note that this is a pre-screen, not a verdict on catalytic activity.

Use in RevampKeyRead the full skill →

Get all 3 without copying a file

RevampKey adds the skills when you connect SandboxAQ, updates them for you and removes them when you disconnect.

Download RevampKey

How SandboxAQ skills work

Connect SandboxAQ
The SandboxAQ MCP server gives the agent its tools.
Ask in plain words
“Rank these 200 ligands against my kinase target, then check the top 10 across a 12-protein off-target panel.” Each SKILL.md says when it applies, so only the one that fits is loaded.
Approve any change
The agent calls the tools in order, checks its work, and shows you any change before it makes it.

How to install SandboxAQ skills

In RevampKey the skills install themselves when you connect SandboxAQ. In other tools each skill is one folder with a SKILL.md file, and you also need the SandboxAQ MCP server connected there.

About 1 minute · nothing to copy

Download RevampKey for Mac, Windows or Linux and sign in.
Open Connectors and connect SandboxAQ. All 3 skills come with it and stay up to date; they go away when you remove the connector.
Ask in plain language, for example “Rank these 200 ligands against my kinase target, then check the top 10 across a 12-protein off-target panel.”
Download RevampKeyConnect SandboxAQ · 1 click
Get RevampKey to connect SandboxAQ
RevampKey is a free desktop app for Mac, Windows and Linux. Install it, sign in, and SandboxAQ is one click away with its skills already attached.
Download RevampKey
Not now? Use the skills in your current tool
for s in essentials rank-protein-ligand-potency run-aqcat-adsorption-screen; do curl -fsSL --create-dirs -o .claude/skills/sandboxaq-$s/SKILL.md https://revampkey.com/marketplace/sandboxaq/skills/$s/SKILL.md done
Other tools

Into this project’s .claude/skills folder

Connect the SandboxAQ MCP server in Claude Code.

Run this in your project folder to add all 3 skills:

for s in essentials rank-protein-ligand-potency run-aqcat-adsorption-screen; do
  curl -fsSL --create-dirs -o .claude/skills/sandboxaq-$s/SKILL.md https://revampkey.com/marketplace/sandboxaq/skills/$s/SKILL.md
done

Ask in plain language, for example “Rank these 200 ligands against my kinase target, then check the top 10 across a 12-protein off-target panel.”

Into the shared .agents/skills folder

Connect the SandboxAQ MCP server in Cursor.

Run this in your project folder to add all 3 skills:

for s in essentials rank-protein-ligand-potency run-aqcat-adsorption-screen; do
  curl -fsSL --create-dirs -o .agents/skills/sandboxaq-$s/SKILL.md https://revampkey.com/marketplace/sandboxaq/skills/$s/SKILL.md
done

Ask in plain language, for example “Rank these 200 ligands against my kinase target, then check the top 10 across a 12-protein off-target panel.”

Into the shared .agents/skills folder

Connect the SandboxAQ MCP server in Codex.

Run this in your project folder to add all 3 skills:

for s in essentials rank-protein-ligand-potency run-aqcat-adsorption-screen; do
  curl -fsSL --create-dirs -o .agents/skills/sandboxaq-$s/SKILL.md https://revampkey.com/marketplace/sandboxaq/skills/$s/SKILL.md
done

Ask in plain language, for example “Rank these 200 ligands against my kinase target, then check the top 10 across a 12-protein off-target panel.”

Into the shared .agents/skills folder

Connect the SandboxAQ MCP server in VS Code.

Run this in your project folder to add all 3 skills:

for s in essentials rank-protein-ligand-potency run-aqcat-adsorption-screen; do
  curl -fsSL --create-dirs -o .agents/skills/sandboxaq-$s/SKILL.md https://revampkey.com/marketplace/sandboxaq/skills/$s/SKILL.md
done

Ask in plain language, for example “Rank these 200 ligands against my kinase target, then check the top 10 across a 12-protein off-target panel.”

RevampKey or copy the files?

In RevampKey

One click when you connect SandboxAQ
Updated for you when a skill improves
Removed when you disconnect
The MCP server is set up for you
800+ other connectors, same way

Download free

Copy into your project

One command per project
Run it again to get updates
You connect the SandboxAQ MCP server yourself
Works in Claude Code, Cursor, Codex and VS Code

See the command

SandboxAQ skills FAQ

What is a SandboxAQ agent skill?

A SKILL.md file: a short playbook an AI agent loads when your request matches it. Each SandboxAQ skill describes one job, which SandboxAQ tools to use in which order, what to check first and when to stop and ask you.

Do the SandboxAQ skills change anything on their own?

3 of the 3 only read. The others tell the agent to show you the change and wait for a yes before it creates, edits or deletes anything in SandboxAQ.

Which tools can use these skills?

Any agent that reads the open Agent Skills format: Claude Code, Cursor, Codex, VS Code with Copilot and RevampKey. In RevampKey they are attached when you connect SandboxAQ; elsewhere you copy the folders into your project or skills directory.

Do I need the SandboxAQ MCP server too?

Yes. The skills tell the agent how to do the work; the SandboxAQ MCP server gives it the tools to do it. The SandboxAQ MCP setup guide covers every client.

SandboxAQ MCP server setup · This page as Markdown

Put SandboxAQ’s best workflows in your agent

Download RevampKey, connect SandboxAQ and ask your first question in about a minute.

Download RevampKey Connect SandboxAQ · 1 click

All 3 SandboxAQ skills

Use the SandboxAQ connector safely

Use it when

Tools it uses

Rank protein-ligand potency with AI

Use it when

Tools it uses

Run an AQCat adsorption screen with AI

Use it when

Tools it uses

Get all 3 without copying a file

How SandboxAQ skills work

How to install SandboxAQ skills

RevampKey or copy the files?

In RevampKey

Copy into your project

SandboxAQ skills FAQ

Put SandboxAQ’s best workflows in your agent

Skills for related tools