OmniRoute Routing CLI
diegosouzapw/OmniRoute
Creates, switches, and inspects OmniRoute model-routing combos, plus a suggestion command with cost and latency constraints.
Agent skill
Ase Calculators
by jinzhezenggroup in jinzhezenggroup/computational-chemistry-agent-skills
Route ASE calculator-backend requests to adapter subskills based on backend choice.
MITAuto-check passed
Install Ase Calculators
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-calculators --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/atomistic-workflows/ase/ase-calculators .claude/skills/ase-calculators && rm -rf skills-srcUse ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.
Claude Code skills documentation · loads skills from .claude/skills/
Install the "ase-calculators" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-calculators into .claude/skills/ase-calculators/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-calculators", then confirm the skill loads.Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$skill-installer install https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-calculatorsType this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-calculators --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .agents/skills && cp -r skills-src/atomistic-workflows/ase/ase-calculators .agents/skills/ase-calculators && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "ase-calculators" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-calculators into .agents/skills/ase-calculators/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-calculators", then confirm the skill loads.Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-calculators --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/atomistic-workflows/ase/ase-calculators .cursor/skills/ase-calculators && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "ase-calculators" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-calculators into .cursor/skills/ase-calculators/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-calculators", then confirm the skill loads.Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gemini skills install https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git --path atomistic-workflows/ase/ase-calculators--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-calculators --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/atomistic-workflows/ase/ase-calculators .gemini/skills/ase-calculators && rm -rf skills-srcUse ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.
Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/
Install the "ase-calculators" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-calculators into .gemini/skills/ase-calculators/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-calculators", then confirm the skill loads.Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-calculatorsInstalls for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .github/skills && cp -r skills-src/atomistic-workflows/ase/ase-calculators .github/skills/ase-calculators && rm -rf skills-srcUse ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.
GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/
Install the "ase-calculators" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-calculators into .github/skills/ase-calculators/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-calculators", then confirm the skill loads.GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-calculators --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/atomistic-workflows/ase/ase-calculators .opencode/skills/ase-calculators && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "ase-calculators" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-calculators into .opencode/skills/ase-calculators/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-calculators", then confirm the skill loads.OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
Facts
- Skill name
ase-calculators- GitHub stars
- 148
- Token cost
- ~349 tokens
- SKILL.md length
- 107 words
- Files
- 2 (incl. references)
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- MIT
At a glance
Route ASE calculator-backend requests to adapter subskills based on backend choice.
- Works in 3 steps: GPAW backend requested ->… → MACE backend requested ->… → if backend unspecified, propose options…
- ASE workflows need backend-specific calculator setup (for example GPAW
- SKILL.md covers Purpose, Scope, Routing rules and Shared output contract
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Ase Calculators is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route ASE calculator-backend requests to adapter subskills based on backend choice. Use when ASE workflows need backend-specific calculator setup (for example GPAW or MACE) while keeping workflow logic backend-agnostic.
Its SKILL.md is about 350 tokens, which your agent loads only when the skill is triggered. The skill folder holds 2 other files, including reference files (for example `references/commands-and-workflow.md`). Compatibility notes: Requires Python environment with ASE and selected backend packages installed.
The repository describes itself as: Agent skills to run computational-chemistry tasks, used in OpenClaw. The licence is MIT.
When your agent uses it
- ASE workflows need backend-specific calculator setup (for example GPAW
- MACE) while keeping workflow logic backend-agnostic
Example prompts
- “/ase-calculators”
Requirements
- Python 3
- Compatibility (from SKILL.md): Requires Python environment with ASE and selected backend packages installed.
Workflow steps
3 steps, taken from the first numbered list in SKILL.md.
- GPAW backend requested -> ase/ase-calculators/gpaw
- MACE backend requested -> ase/ase-calculators/mace
- if backend unspecified, propose options and ask one focused question
What it can do on your machine
Read from SKILL.md and the folder at commit 5c19e75. It shows what the files ask for, not the result of running them.
Tool permissions
Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.
From allowed-tools in the SKILL.md frontmatter.
Runs code
No scripts in the folder and no shell commands in SKILL.md.
From the folder's file list and the shell code blocks in SKILL.md.
Network
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Credentials
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Compatibility
Requires Python environment with ASE and selected backend packages installed.
From compatibility in the SKILL.md frontmatter.
Context cost
Ase Calculators loads about 349 tokens when it runs, and up to ~484 if it reads all its reference files. Until then it costs about 59 tokens; SKILL.md has 107 words of instructions outside code blocks.
Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.
Safety
Auto-check passed
The automated check found no risky patterns in SKILL.md.
Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.
SKILL.md
The full file from jinzhezenggroup/computational-chemistry-agent-skills at commit 5c19e75, republished under its MIT licence (© jinzhezenggroup). 107 words, ~349 tokens.
Download SKILL.mdSave it as
.claude/skills/ase-calculators/SKILL.md (or your agent's skills folder). This skill also uses 1 other file; get the full folder from GitHub.- name
- ase-calculators
- description
- Route ASE calculator-backend requests to adapter subskills based on backend choice. Use when ASE workflows need backend-specific calculator setup (for example GPAW or MACE) while keeping workflow logic backend-agnostic.
- compatibility
- Requires Python environment with ASE and selected backend packages installed.
- license
- MIT
- catalog-hidden
- true
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://gitlab.com/ase/ase
ASE Calculators Router
Use this skill as the top-level ASE calculator adapter layer.
Purpose
This skill routes backend selection to one adapter subskill path:
ase/ase-calculators/gpawase/ase-calculators/mace
Scope
This router skill should:
- identify backend requested by user or workflow
- verify minimum backend prerequisites
- delegate backend-specific calculator configuration
- return adapter configuration summary to workflow layer
This router skill should not:
- own workflow-level logic (
relax,md,nebcontrols) - execute calculations directly
Routing rules
- GPAW backend requested ->
ase/ase-calculators/gpaw - MACE backend requested ->
ase/ase-calculators/mace - if backend unspecified, propose options and ask one focused question
Shared output contract
Return:
- selected adapter path
- backend configuration summary
- unresolved backend prerequisites
© jinzhezenggroup, MIT. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file
Files
SKILL.md and 1 other file (references) in atomistic-workflows/ase/ase-calculators of jinzhezenggroup/computational-chemistry-agent-skills.
- SKILL.md
- references/commands-and-workflow.md
Open the folder on GitHubat commit 5c19e75
Compare with similar skills
Ase Calculators next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| Ase Calculators this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~349 | Automated safety check: Pass | MIT | |
| OmniRoute Routing CLIdiegosouzapw/OmniRoute | 75k | — | ~342 | Automated safety check: Pass | MIT | |
| OmniRoute Combo Routingdiegosouzapw/OmniRoute | 75k | — | ~2.1k | Automated safety check: Pass | MIT | |
| SPA Routes and Featureslobehub/lobehub | 83k | — | ~3.5k | Automated safety check: Pass | Custom licence | |
| Intelligence Routeruvnet/ruflo | 74k | — | ~874 | Automated safety check: Notes | MIT | |
| Agent Adaptive Coordinatorruvnet/ruflo | 74k | 2 repos | ~4k | Automated safety check: Pass | MIT |
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Questions about Ase Calculators
What does Ase Calculators do?
Route ASE calculator-backend requests to adapter subskills based on backend choice. Ase Calculators is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route ASE calculator-backend requests to adapter subskills based on backend choice.
When should I use Ase Calculators?
Ase Calculators fits situations like: ASE workflows need backend-specific calculator setup (for example GPAW; MACE) while keeping workflow logic backend-agnostic.
How do I install Ase Calculators in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a claude-code`. Or copy the skill folder (atomistic-workflows/ase/ase-calculators in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/ase-calculators in your project. Claude Code loads it when a task matches its description.
How do I install Ase Calculators in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a codex`. Or copy the skill folder (atomistic-workflows/ase/ase-calculators in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/ase-calculators in your project. Codex loads it when a task matches its description.
Can I use Ase Calculators in Cursor, Gemini CLI or GitHub Copilot?
Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-calculators -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/ase-calculators, .gemini/skills/ase-calculators, .github/skills/ase-calculators and .opencode/skills/ase-calculators in your project.
What does Ase Calculators need to run?
SKILL.md names no scripts, command-line tools or credentials: Ase Calculators is instructions for the agent only. Our summary lists: Python 3. Compatibility (from SKILL.md): Requires Python environment with ASE and selected backend packages installed..
Does Ase Calculators access the network?
SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.
Is Ase Calculators safe to install?
Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.
What licence does Ase Calculators use?
Ase Calculators is published under the MIT licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.
How many tokens does Ase Calculators use?
About 349 tokens (SKILL.md is roughly 1.4k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 135 tokens, read only when the agent opens those files.
What are the alternatives to Ase Calculators?
Skills that share tags, products or a category with Ase Calculators: OmniRoute Routing CLI (diegosouzapw/OmniRoute, 75k stars), OmniRoute Combo Routing (diegosouzapw/OmniRoute, 75k stars), SPA Routes and Features (lobehub/lobehub, 83k stars) and Intelligence Route (ruvnet/ruflo, 74k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Ase Calculators?
jinzhezenggroup (a GitHub organization) maintains it in jinzhezenggroup/computational-chemistry-agent-skills, which has 148 GitHub stars. The repository holds 62 skills in this directory. The repository was last updated on October 9, 2026.
Source: jinzhezenggroup/computational-chemistry-agent-skills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.