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Agent Skills

You can give your AI coding agent (Claude Code, Cursor, Copilot, etc.) the full Atomiverse Python SDK reference so it writes correct code on the first try.

How it works​

  1. Copy the prompt below and paste it into your agent.
  2. The agent fetches a self-contained documentation file from Atomiverse and reads it.
  3. From that point on, the agent knows the full SDK API — all job types, result models, constraint syntax, level-of-theory constants, and error handling patterns.

The documentation is generated directly from the SDK source code, so it is always up to date with the latest release.

Copy this prompt​

Please read the Atomiverse Python SDK documentation.
Fetch the full reference from:
https://atomiverse.com/agent-sdk.md

Read the entire file carefully, then respond with a brief summary of the
SDK's capabilities so I know you've absorbed it.

What the agent learns​

The generated documentation covers:

  • Installation & configuration — pip install and API key setup
  • Atoms construction — from SMILES, reaction SMILES, ASE, RDKit, share links, and PubChem/ChEMBL
  • Levels of theory — all predefined constants and manual construction
  • All job types — single-point energy, geometry optimization, IRC, vibrations, TS validation, growing-string DE-TS, reaction mapping, ensemble generation, ensemble optimization, MSRRHO
  • Constraints — freeze atoms, constrain bonds/angles/dihedrals
  • Cloud calculator — ASE calculator interface
  • Job lifecycle — submit, refresh, cancel, rename, delete, serialize, visualize
  • Error handling — JobFailedError, JobResultUnavailableError
  • Job listing & pagination — list_jobs, iter_jobs
  • Balance & compute targets — BYOC controller management
  • Full source code — every SDK module, verbatim