Computational-chemistry-agent-skills create-skill

Create new Agent Skills following the agentskills.io specification. Use when the user wants to create, scaffold, or design a new skill for AI agents. Handles SKILL.md generation, directory structure setup, and validation.

install
source · Clone the upstream repo
git clone https://github.com/jinzhezenggroup/computational-chemistry-agent-skills
Claude Code · Install into ~/.claude/skills/
T=$(mktemp -d) && git clone --depth=1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills "$T" && mkdir -p ~/.claude/skills && cp -r "$T/.github/skills/create-skill" ~/.claude/skills/jinzhezenggroup-computational-chemistry-agent-skills-create-skill && rm -rf "$T"
manifest: .github/skills/create-skill/SKILL.md
source content

Create Skill

This skill helps you create new Agent Skills that follow the agentskills.io specification.

Quick Start

When asked to create a new skill:

  1. Gather requirements: Ask what the skill should do
  2. Choose a name: lowercase letters, numbers, hyphens only (e.g.,
    pdf-processing
    ,
    data-analysis
    )
  3. Generate the structure: Create
    SKILL.md
    with proper frontmatter
  4. Add optional components: scripts, references, assets as needed

Directory Structure

skill-name/
├── SKILL.md          # Required: main skill file
├── scripts/          # Optional: executable code
├── references/       # Optional: additional documentation
└── assets/           # Optional: static resources

SKILL.md Template

---
name: your-skill-name
description: What this skill does and when to use it. Be specific and include keywords that help agents identify relevant tasks. Max 1024 characters.
license: MIT
compatibility: Optional - environment requirements if any
metadata:
  author: your-name
  version: "1.0"
allowed-tools: Optional - pre-approved tools (experimental)
---

# Skill Title

Brief introduction to the skill.

## Usage

Step-by-step instructions on how to use this skill.

## Examples

Example inputs and outputs.

## Notes

Common edge cases and tips.

Field Requirements

name (required)

  • 1-64 characters
  • Lowercase letters, numbers, hyphens only
  • Cannot start or end with
    -
  • No consecutive hyphens
    --
  • Must match directory name

Valid:

pdf-processing
,
data-analysis
,
code-review-2
Invalid:
PDF-Processing
,
-pdf
,
pdf--processing

description (required)

  • 1-1024 characters
  • Describe WHAT the skill does AND WHEN to use it
  • Include specific keywords for discoverability

Good: "Extracts text and tables from PDF files. Use when working with PDF documents, extracting content from PDFs, or processing scanned documents." Poor: "Helps with PDFs."

license (optional)

  • License name or reference to bundled license file
  • Examples:
    MIT
    ,
    Apache-2.0
    ,
    Proprietary. LICENSE.txt has complete terms

compatibility (optional)

  • 1-500 characters
  • Only include if skill has specific environment requirements
  • Examples: "Requires Python 3.8+ and pandas", "Needs internet access for API calls"

metadata (optional)

  • Arbitrary key-value pairs
  • Common keys:
    author
    ,
    version
    ,
    tags

allowed-tools (optional, experimental)

  • Space-delimited list of pre-approved tools
  • Example:
    Bash(git:*) Bash(jq:*) Read

Best Practices

Progressive Disclosure

Design for efficient context usage:

  1. Metadata (~100 tokens): Loaded at startup for all skills
  2. Instructions (<5000 tokens recommended): Loaded when skill is activated
  3. Resources: Loaded on-demand

Keep

SKILL.md
under 500 lines. Move detailed content to
references/
.

File Organization

  • Keep
    SKILL.md
    focused on core instructions
  • Put detailed docs in
    references/REFERENCE.md
  • Put templates in
    assets/
  • Put executable code in
    scripts/

File References

Use relative paths from skill root:

See [the reference guide](references/REFERENCE.md) for details.
Run: scripts/process.py

Keep references one level deep. Avoid deeply nested chains.

Validation

After creating a skill, validate it:

# Install skills-ref if needed
npm install -g @agentskills/skills-ref

# Validate the skill
skills-ref validate ./your-skill-name

Workflow Example

When asked to create a skill for X:

  1. Create directory:
    your-skill-name/
  2. Write
    SKILL.md
    with:
    • Proper frontmatter (name, description)
    • Clear instructions in Markdown body
  3. Optionally add:
    • scripts/
      for helper scripts
    • references/
      for detailed docs
    • assets/
      for templates/data
  4. Validate with
    skills-ref validate
  5. Test the skill with an agent

Common Patterns

Simple Skill

Just a

SKILL.md
with instructions:

my-skill/
└── SKILL.md

Skill with Scripts

For skills that run code:

my-skill/
├── SKILL.md
└── scripts/
    └── helper.py

Skill with References

For detailed documentation:

my-skill/
├── SKILL.md
└── references/
    ├── REFERENCE.md
    └── examples.md

Full-featured Skill

my-skill/
├── SKILL.md
├── scripts/
│   ├── setup.sh
│   └── process.py
├── references/
│   ├── API.md
│   └── FORMATS.md
└── assets/
    ├── template.json
    └── schema.json

References