Router On
weave-os/router
Route Codex through the Weave Router again (turn it back on).
Unified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE).
MITAuto-check passed
Install Ase
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase --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 .claude/skills/ase && 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" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase into .claude/skills/ase/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase", 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/aseType 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 -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase --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 .agents/skills/ase && 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" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase into .agents/skills/ase/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase", 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 -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase --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 .cursor/skills/ase && 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" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase into .cursor/skills/ase/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase", 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--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 -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills ase --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 .gemini/skills/ase && 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" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase into .gemini/skills/ase/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase", 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 aseInstalls 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 -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 .github/skills/ase && 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" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase into .github/skills/ase/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase", 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 -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 --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 .opencode/skills/ase && 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" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/atomistic-workflows/ase into .opencode/skills/ase/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "ase", 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- GitHub stars
- 148
- Token cost
- ~424 tokens
- SKILL.md length
- 132 words
- Files
- 1
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- MIT
At a glance
Unified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE).
- Works in 3 steps: task intent is static/relax/md/neb… → task intent is backend… → if mixed request, route to…
- You need backend-agnostic workflow orchestration while keeping calculator-specific setup isolated in adapter subskills
- SKILL.md covers Purpose, Scope, Routing rules and Output from top-level router
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Ase is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Unified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE). Use when you need backend-agnostic workflow orchestration while keeping calculator-specific setup isolated in adapter subskills, with reproducible task preparation as output.
Its SKILL.md is about 420 tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts. Compatibility notes: Requires Python and ASE. Optional backend dependencies are GPAW and/or MACE depending on selected adapter. Prepares tasks/configuration only; submit and run…
The repository describes itself as: Agent skills to run computational-chemistry tasks, used in OpenClaw. The licence is MIT.
When your agent uses it
- You need backend-agnostic workflow orchestration while keeping calculator-specific setup isolated in adapter subskills
- With reproducible task preparation as output
Example prompts
- “/ase”
Requirements
- Python 3
- Compatibility (from SKILL.md): Requires Python and ASE. Optional backend dependencies are GPAW and/or MACE depending on selected adapter. Prepares tasks/configuration only; submit and run via dpdisp-submit when execution is requested.
Workflow steps
3 steps, taken from the first numbered list in SKILL.md.
- task intent is static/relax/md/neb workflow -> ase/ase-workflows
- task intent is backend selection/configuration -> ase/ase-calculators
- if mixed request, route to ase/ase-workflows first, then call ase/ase-calculators as dependency
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 and ASE. Optional backend dependencies are GPAW and/or MACE depending on selected adapter. Prepares tasks/configuration only; submit and run via dpdisp-submit when execution is requested.
From compatibility in the SKILL.md frontmatter.
Context cost
Ase loads about 424 tokens when it runs. Until then it costs about 74 tokens; SKILL.md has 132 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). 132 words, ~424 tokens.
Download SKILL.mdSave it as
.claude/skills/ase/SKILL.md (or your agent's skills folder).- name
- ase
- description
- Unified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE). Use when you need backend-agnostic workflow orchestration while keeping calculator-specific setup isolated in adapter subskills, with reproducible task preparation as output.
- compatibility
- Requires Python and ASE. Optional backend dependencies are GPAW and/or MACE depending on selected adapter. Prepares tasks/configuration only; submit and run via dpdisp-submit when execution is requested.
- license
- MIT
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://gitlab.com/ase/ase
ASE Top-Level Router
Use this skill as the unified entry point for ASE ecosystem tasks.
Purpose
This skill routes requests to one branch under the ASE tree:
ase/ase-workflowsase/ase-calculators
Scope
This top-level router should:
- decide whether the request is workflow-level or backend-adapter-level
- gather the minimum context required for the selected branch
- delegate details to the corresponding branch router
- keep workflow logic and backend logic separated
This top-level router should not:
- hardcode task-specific or backend-specific parameters directly
- execute calculations directly
Routing rules
- task intent is static/relax/md/neb workflow ->
ase/ase-workflows - task intent is backend selection/configuration ->
ase/ase-calculators - if mixed request, route to
ase/ase-workflowsfirst, then callase/ase-calculatorsas dependency
Output from top-level router
Provide:
- selected ASE branch path
- reason for branch selection
- missing minimum inputs
- explicit next delegation step
© 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
Just SKILL.md in atomistic-workflows/ase of jinzhezenggroup/computational-chemistry-agent-skills.
Open the folder on GitHubat commit 5c19e75
Compare with similar skills
Ase 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 this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~424 | Automated safety check: Pass | MIT | |
| Router Onweave-os/router | 5.6k | — | ~169 | Automated safety check: Pass | Apache-2.0 | |
| Router Offweave-os/router | 5.6k | — | ~183 | Automated safety check: Pass | Apache-2.0 | |
| More Trees AutomationComposioHQ/awesome-claude-skills | 77k | 3 repos | ~742 | Automated safety check: Pass | None | |
| Azure Static Web Appsgithub/awesome-copilot | 40k | 1 repos | ~2.4k | Automated safety check: Pass | MIT | |
| Acp Routeropenclaw/openclaw | 392k | — | ~2.4k | Automated safety check: Pass | MIT |
Similar skills
Router Off
weave-os/router
Route Codex to its default provider again (turn the Weave Router off).
More Trees Automation
ComposioHQ/awesome-claude-skills
Automate More Trees tasks via Rube MCP (Composio). An agent skill from ComposioHQ/awesome-claude-skills.
- Official
Azure Static Web Apps
github/awesome-copilot
Helps create, configure, and deploy Azure Static Web Apps using the SWA CLI.
Acp Router
openclaw/openclaw
Route plain-language requests for Claude Code, Cursor, Copilot, OpenClaw ACP, OpenCode, Gemini CLI, Qwen, Kiro, Kimi, iFlow, Factory Droid, Kilocode, or explicit ACP harness work into either…
Unified Memory
affaan-m/ECC
Share durable, inspectable context and handoffs between Claude, Codex, Hermes, Cursor, OpenCode, and other agents through the local ECC Memory Vault.
More from jinzhezenggroup/computational-chemistry-agent-skills
All 62 skills in this repoQuantum ESPRESSO DFT Task Builder
jinzhezenggroup/computational-chemistry-agent-skills
Turns a user-supplied atomic structure and DFT settings into a runnable Quantum ESPRESSO input file, stopping short of submitting the job.
DP-GEN Simplify Workflow
jinzhezenggroup/computational-chemistry-agent-skills
Prepares, validates and runs DP-GEN simplify jobs that thin out repeated or redundant DeepMD datasets, generating param.json and machine.json for local or scheduler runs.
LAMMPS with DeePMD-kit
jinzhezenggroup/computational-chemistry-agent-skills
Prepares and runs molecular dynamics simulations in LAMMPS with a DeePMD machine-learning potential, writing the input script and choosing NVE, NVT or NPT.
LAMMPS ReaxFF Setup
jinzhezenggroup/computational-chemistry-agent-skills
Prepares and explains LAMMPS input scripts for reactive molecular dynamics with the ReaxFF potential, including charge equilibration and ensemble choice.
RDKit Conformer Generator
jinzhezenggroup/computational-chemistry-agent-skills
Generates 3D molecular conformers from SMILES strings or files with RDKit, keeps the lowest-energy one per molecule, and falls back to 2D coordinates when embedding fails.
RDKit Descriptors and Fingerprints
jinzhezenggroup/computational-chemistry-agent-skills
Computes RDKit physicochemical descriptors and molecular fingerprints from SMILES through a uv-run CLI script that skips and logs invalid molecules.
Questions about Ase
What does Ase do?
Unified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE). Ase is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Unified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE).
When should I use Ase?
Ase fits situations like: you need backend-agnostic workflow orchestration while keeping calculator-specific setup isolated in adapter subskills; with reproducible task preparation as output.
How do I install Ase in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase -a claude-code`. Or copy the skill folder (atomistic-workflows/ase in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/ase in your project. Claude Code loads it when a task matches its description.
How do I install Ase in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill ase -a codex`. Or copy the skill folder (atomistic-workflows/ase in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/ase in your project. Codex loads it when a task matches its description.
Can I use Ase 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 -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, .gemini/skills/ase, .github/skills/ase and .opencode/skills/ase in your project.
What does Ase need to run?
SKILL.md names no scripts, command-line tools or credentials: Ase is instructions for the agent only. Our summary lists: Python 3. Compatibility (from SKILL.md): Requires Python and ASE. Optional backend dependencies are GPAW and/or MACE depending on selected adapter. Prepares tasks/configuration only; submit and run via dpdisp-submit when execution is requested..
Does Ase 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 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 use?
Ase 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 use?
About 424 tokens (SKILL.md is roughly 1.7k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.
What are the alternatives to Ase?
Skills that share tags, products or a category with Ase: Router On (weave-os/router, 5.6k stars), Router Off (weave-os/router, 5.6k stars), More Trees Automation (ComposioHQ/awesome-claude-skills, 77k stars) and Azure Static Web Apps (github/awesome-copilot, 40k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Ase?
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.