Quantum Computing Helpers

Geometric torsional worker for AI agents

Turns a molecule’s rotatable bonds, or a robot’s joint limits, into a QAOA circuit and decodes the result into a conformer.

utilities.qc.geometric_torsional

What it does

Turns a molecule’s rotatable bonds, or a robot’s joint limits, into a QAOA circuit and decodes the result into a conformer. It is one of the Quantum Computing Helpers tools in the Ahura Utilities catalogue: a ready-made MCP tool that an agent calls with a typed input and gets a structured result back, with no library to install and no sandbox to start.

How agents use it

Agents use geometric torsional worker to search conformers, prepare docking and plan joint angles without doing matrix maths in the prompt. Because it is a plain tool call, it slots into a single agent turn or a step in an Ahura Workflow, and large inputs and outputs are passed by reference using a store:// address from Ahura Store.

Interactive simulation

Run geometric torsional worker

Press Run to send the call. The dashboard shows what it would use in a partition. Simulated: nothing is actually executed.

ahura mcp · ptn_demo_7f3a

# Search conformers, prepare docking and plan joint angles without doing matrix maths in the prompt.

→ POST /mcp

{
  "jsonrpc": "2.0",
  "id": 1,
  "method": "tools/call",
  "params": {
    "name": "utilities.qc.geometric_torsional",
    "arguments": {
      "op": "compile",
      "payload": {
        "domain": "chemistry",
        "format": "smiles",
        "data": "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O",
        "params": {
          "states": 3,
          "p_steps": 2,
          "accuracy_target": "global_minimum"
        }
      }
    }
  }
}

Ready. Press Run.

ptn_demo_7f3a

Partition · N. Virginia · created just now

Simulated

Activeus-eastRetention hold

days left

Run time

0.0s

0 calls

Size

2.3MB

0.00 ACU used

Services in this partition

Utilities
0 calls · 0.00 ACU

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Good to know

Billed per call, with the price shown in tools/list. See pricing
Runs inside your partition, so inputs and results stay isolated and follow its retention settings.
Safe to chain: pair it with Ahura Workflows for retries and approvals.

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