OmniRoute Routing CLI
diegosouzapw/OmniRoute
Creates, switches, and inspects OmniRoute model-routing combos, plus a suggestion command with cost and latency constraints.
Route ASE atomistic workflow requests to task-specific subskills based on user intent.
MITAuto-check passed
Install Ase Workflows
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-workflows -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-workflows --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-workflows .claude/skills/ase-workflows && 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-workflows" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-workflows into .claude/skills/ase-workflows/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-workflows", 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-workflowsType 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-workflows -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-workflows --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-workflows .agents/skills/ase-workflows && 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-workflows" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-workflows into .agents/skills/ase-workflows/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-workflows", 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-workflows -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-workflows --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-workflows .cursor/skills/ase-workflows && 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-workflows" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-workflows into .cursor/skills/ase-workflows/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-workflows", 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-workflows--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-workflows -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase-workflows --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-workflows .gemini/skills/ase-workflows && 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-workflows" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-workflows into .gemini/skills/ase-workflows/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-workflows", 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-workflowsInstalls 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-workflows -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-workflows .github/skills/ase-workflows && 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-workflows" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-workflows into .github/skills/ase-workflows/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-workflows", 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-workflows -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-workflows --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-workflows .opencode/skills/ase-workflows && 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-workflows" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase/ase-workflows into .opencode/skills/ase-workflows/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase-workflows", 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-workflows- GitHub stars
- 148
- Token cost
- ~502 tokens
- SKILL.md length
- 169 words
- Files
- 2 (incl. references)
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- MIT
At a glance
Route ASE atomistic workflow requests to task-specific subskills based on user intent.
- Works in 4 steps: single-point energy/force/stress ->… → geometry optimization ->… → finite-temperature trajectory ->… → …
- The user asks for ASE-based static
- SKILL.md covers Purpose, Scope, Routing rules and Shared policy for all workflow…, plus 1 more section
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Ase Workflows is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route ASE atomistic workflow requests to task-specific subskills based on user intent. Use when the user asks for ASE-based static, relaxation, MD, or NEB workflows and you must apply consistent workflow controls independent of calculator backend.
Its SKILL.md is about 500 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 installed and at least one compatible ASE calculator backend.
The repository describes itself as: Agent skills to run computational-chemistry tasks, used in OpenClaw. The licence is MIT.
When your agent uses it
- The user asks for ASE-based static
- NEB workflows and you must apply consistent workflow controls independent of calculator backend
Example prompts
- “/ase-workflows”
Requirements
- Python 3
- Compatibility (from SKILL.md): Requires Python environment with ASE installed and at least one compatible ASE calculator backend.
Workflow steps
4 steps, taken from the first numbered list in SKILL.md.
- single-point energy/force/stress -> ase/ase-workflows/static
- geometry optimization -> ase/ase-workflows/relax
- finite-temperature trajectory -> ase/ase-workflows/md
- reaction path / transition-state pathway -> ase/ase-workflows/neb
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 installed and at least one compatible ASE calculator backend.
From compatibility in the SKILL.md frontmatter.
Context cost
Ase Workflows loads about 502 tokens when it runs, and up to ~678 if it reads all its reference files. Until then it costs about 65 tokens; SKILL.md has 169 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). 169 words, ~502 tokens.
Download SKILL.mdSave it as
.claude/skills/ase-workflows/SKILL.md (or your agent's skills folder). This skill also uses 1 other file; get the full folder from GitHub.- name
- ase-workflows
- description
- Route ASE atomistic workflow requests to task-specific subskills based on user intent. Use when the user asks for ASE-based static, relaxation, MD, or NEB workflows and you must apply consistent workflow controls independent of calculator backend.
- compatibility
- Requires Python environment with ASE installed and at least one compatible ASE calculator backend.
- license
- MIT
- catalog-hidden
- true
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://gitlab.com/ase/ase
ASE Workflows Router
Use this skill as the top-level ASE workflow orchestration layer.
Purpose
This skill routes requests to one task-specific workflow subskill path:
ase/ase-workflows/staticase/ase-workflows/relaxase/ase-workflows/mdase/ase-workflows/neb
Scope
This router skill should:
- classify user intent into one ASE workflow type
- collect minimal task context (goal, convergence target, outputs)
- delegate detailed workflow controls to selected subskill
- request calculator backend via
ase/ase-calculatorsrouter - enforce consistent output/handoff policy
This router skill should not:
- hardcode backend-specific calculator parameters
- execute or submit calculations directly
Routing rules
- single-point energy/force/stress ->
ase/ase-workflows/static - geometry optimization ->
ase/ase-workflows/relax - finite-temperature trajectory ->
ase/ase-workflows/md - reaction path / transition-state pathway ->
ase/ase-workflows/neb
If intent is ambiguous, ask one focused clarification question.
Shared policy for all workflow subskills
- separate workflow logic from backend adapter logic
- expose assumptions and unresolved choices
- return reproducible task layout and run script
- if execution is requested, hand off to
dpdisp-submit
Output from router
Provide:
- selected workflow subskill path
- why it was selected
- missing minimum inputs (if any)
- explicit next step (invoke selected subskill)
© 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-workflows 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 Workflows 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 Workflows this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~502 | 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 | |
| Intelligence Routeruvnet/ruflo | 74k | — | ~874 | Automated safety check: Notes | MIT | |
| SPA Routes and Featureslobehub/lobehub | 83k | — | ~3.5k | Automated safety check: Pass | Custom licence | |
| Routingalsk1992/CloddsBot | 3k | — | ~1.6k | Automated safety check: Pass | MIT |
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Questions about Ase Workflows
What does Ase Workflows do?
Route ASE atomistic workflow requests to task-specific subskills based on user intent. Ase Workflows is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route ASE atomistic workflow requests to task-specific subskills based on user intent.
When should I use Ase Workflows?
Ase Workflows fits situations like: the user asks for ASE-based static; NEB workflows and you must apply consistent workflow controls independent of calculator backend.
How do I install Ase Workflows in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-workflows -a claude-code`. Or copy the skill folder (atomistic-workflows/ase/ase-workflows in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/ase-workflows in your project. Claude Code loads it when a task matches its description.
How do I install Ase Workflows in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase-workflows -a codex`. Or copy the skill folder (atomistic-workflows/ase/ase-workflows in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/ase-workflows in your project. Codex loads it when a task matches its description.
Can I use Ase Workflows 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-workflows -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-workflows, .gemini/skills/ase-workflows, .github/skills/ase-workflows and .opencode/skills/ase-workflows in your project.
What does Ase Workflows need to run?
SKILL.md names no scripts, command-line tools or credentials: Ase Workflows is instructions for the agent only. Our summary lists: Python 3. Compatibility (from SKILL.md): Requires Python environment with ASE installed and at least one compatible ASE calculator backend..
Does Ase Workflows 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 Workflows 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 Workflows use?
Ase Workflows 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 Workflows use?
About 502 tokens (SKILL.md is roughly 2k 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 176 tokens, read only when the agent opens those files.
What are the alternatives to Ase Workflows?
Skills that share tags, products or a category with Ase Workflows: OmniRoute Routing CLI (diegosouzapw/OmniRoute, 75k stars), OmniRoute Combo Routing (diegosouzapw/OmniRoute, 75k stars), Intelligence Route (ruvnet/ruflo, 74k stars) and SPA Routes and Features (lobehub/lobehub, 83k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Ase Workflows?
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.