agentsclimarketplace

Mace

Skill jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-calculators/mace

Agent skills to run computational-chemistry tasks, used in OpenClaw

Install
npx -y skills add jinzhezenggroup/computational-chemistry-agent-skills --skill mace

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What its author says it does

Copied from the file, not written here

Configure ASE MACE calculator adapter settings for ASE workflows. Use when ASE workflow tasks require MACE backend setup including model path/version, device/precision, stress availability, and inference controls.

The file declares its own license as MIT. That is the author’s claim about this one file, and it is not the same thing as the license GitHub reports for the repository, which is listed with the other numbers below.

SKILL.md

1.0 KB, as published. Nobody here has run it

ASE MACE Adapter (Subskill)

Scope

This adapter configures MACE backend parameters for ASE workflows.

It should return calculator configuration, not workflow logic.

Must provide

  • model checkpoint/path
  • device policy (cpu/cuda)
  • precision policy
  • stress/force capability requirements

Usually should be explicit

  • batch/inference tuning
  • model domain applicability note
  • restart/checkpoint policy

Expected output

  1. calculator configuration payload
  2. backend assumptions and prerequisites
  3. unresolved backend choices

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