jinzhezenggroup/computational-chemistry-agent-skills/mace
Claude Code and agent skill by jinzhezenggroup/computational-chemistry-agent-skills
Trust tier 2
- community
Source check pending
Checking that the SKILL.md file is still in the repository.
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.
Install
npx vskill@latest install jinzhezenggroup/computational-chemistry-agent-skills/maceSKILL.md
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
- calculator configuration payload
- backend assumptions and prerequisites
- unresolved backend choices
Security
- Security scanPassed, 100 of 100Pattern checks on the skill's files.
- Model reviewNot runA model review is scheduled for the next rescan.
Quality evaluation
- Task evaluationNot runNo evaluation yet. Run one in Skill Studio.
Source
- SKILL.md in the repositoryCheckingatomistic-workflows/ase/ase-calculators/mace/SKILL.md
Popularity
- Repository stars
- 118
- Repository forks
- 24
- 7-day trend score
- 24
Stars and forks are for the whole GitHub repository, not this skill alone. Not refreshed yet.
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