ASE MACE Adapter (Subskill)

SkillProductivity

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.

Available today. Use it from your connected AI after setup.

Connect ahel once, and every AI you use reads what you have installed.

Then ask your AI: use the ASE MACE Adapter (Subskill) skill

What this skill tells your AI

The instructions your AI receives, as published by jinzhezenggroup/computational-chemistry-agent-skills in atomistic-workflows/ase/ase-calculators/mace/SKILL.md and read by ahel’s review.

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

Signals

GitHub stars
138
Forks
26
Last commit
Sep 2026
Advanced
Catalog kind
skill
Gateway key
mace
Source
github.com/jinzhezenggroup/computational-chemistry-agent-skills