Contributing

Contributions are welcome.

General expectations

Keep contributions focused. Prefer small, reviewable pull requests over large mixed changes.
Before opening a PR, make sure the content belongs in this repository and fits an existing skill category or repository convention.
Contributors may use AI tools, but must personally review every sentence, command, path, and example before submitting.

Follow the Agent Skills specification and existing repository patterns.
If you are creating a new skill, you can start from .github/skills/create-skill/SKILL.md.
Place new skills in the most appropriate top-level category directory.
Use a dedicated skill directory with SKILL.md as the entry point. Add scripts/, references/, or assets/ only when they are actually needed.
Use clear, specific skill names and descriptions so agents can identify when to use them.
Keep SKILL.md focused on core instructions. Move long examples, detailed references, or supporting material into separate files when appropriate.
If available in your environment, validate new skills before submitting.

Do not put multiple unrelated capabilities into a single Markdown file.
Keep content layered and easy to maintain.
Update an existing skill when improving the same capability; create a new skill only when the responsibility is genuinely distinct.
Keep examples explicit and runnable when possible so agents can use them reliably.
Keep prose concise. A skill should be practical and clear, not verbose.

Avoid direct manual edits to content managed by sync workflows, unless you are intentionally changing the sync source or sync configuration.
If your change affects repository structure or conventions, include a short rationale in the PR.

Thanks for helping improve computational-chemistry-agent-skills.