Prepare GPAW DOS workflow scripts from existing ground-state context and user-specified DOS settings.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dos -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dos --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/quantum-chemistry/dft-gpaw/dos .claude/skills/dos && 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 "dos" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw/dos into .claude/skills/dos/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dos", 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/quantum-chemistry/dft-gpaw/dosType 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 dos -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dos --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/quantum-chemistry/dft-gpaw/dos .agents/skills/dos && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "dos" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw/dos into .agents/skills/dos/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dos", 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 dos -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dos --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/quantum-chemistry/dft-gpaw/dos .cursor/skills/dos && 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 "dos" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw/dos into .cursor/skills/dos/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dos", 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 quantum-chemistry/dft-gpaw/dos--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 dos -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dos --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/quantum-chemistry/dft-gpaw/dos .gemini/skills/dos && 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 "dos" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw/dos into .gemini/skills/dos/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dos", 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 dosInstalls 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 dos -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/quantum-chemistry/dft-gpaw/dos .github/skills/dos && 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 "dos" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw/dos into .github/skills/dos/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dos", 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 dos -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 dos --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/quantum-chemistry/dft-gpaw/dos .opencode/skills/dos && 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 "dos" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw/dos into .opencode/skills/dos/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dos", 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.
dosPrepare GPAW DOS workflow scripts from existing ground-state context and user-specified DOS settings.
Dos is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare GPAW DOS workflow scripts from existing ground-state context and user-specified DOS settings. Use when the user requests total/projected DOS setup with explicit prerequisite checks against prior converged calculations.
Its SKILL.md is about 350 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 prerequisite ground-state context and runnable GPAW+ASE Python environment.
The repository describes itself as: Agent skills to run computational-chemistry tasks, used in OpenClaw. The licence is LGPL-3.0-or-later.
4 steps, taken from the first numbered list in SKILL.md.
Read from SKILL.md and the folder at commit 5c19e75. It shows what the files ask for, not the result of running them.
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.
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.
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Requires prerequisite ground-state context and runnable GPAW+ASE Python environment.
From compatibility in the SKILL.md frontmatter.
Dos loads about 347 tokens when it runs. Until then it costs about 58 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.
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.
The full file from jinzhezenggroup/computational-chemistry-agent-skills at commit 5c19e75, republished under its LGPL-3.0-or-later licence (© jinzhezenggroup). 107 words, ~347 tokens.
.claude/skills/dos/SKILL.md (or your agent's skills folder).This skill prepares DOS-stage tasks only.
It should:
It should not submit or execute jobs.
Require explicit prior converged ground-state context (restart/checkpoint and compatible settings).
If prerequisites are missing, stop and ask for them.
total or projected)dpdisp-submit if execution is requested© jinzhezenggroup, LGPL-3.0-or-later. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file
Just SKILL.md in quantum-chemistry/dft-gpaw/dos of jinzhezenggroup/computational-chemistry-agent-skills.
Open the folder on GitHubat commit 5c19e75
Dos 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 |
|---|---|---|---|---|---|---|
| Dos this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~347 | Automated safety check: Pass | LGPL-3.0-or-later | |
| Dos Verify Done Claimssickn33/agentic-awesome-skills | 47k | 1 repos | ~2.1k | Automated safety check: Pass | MIT | |
| Audit Preparationsickn33/agentic-awesome-skills | 47k | 1 repos | ~5.3k | Automated safety check: Pass | MIT | |
| Release PreparationCherryHQ/cherry-studio | 53k | — | ~4.3k | Automated safety check: Pass | AGPL-3.0 | |
| Grounded CitationsNousResearch/hermes-agent | 253k | — | ~3.1k | Automated safety check: Pass | MIT | |
| Prepare Paperclip PRpaperclipai/paperclip | 100k | — | ~954 | Automated safety check: Pass | MIT |
sickn33/agentic-awesome-skills
Before accepting an agent's 'done / shipped / fixed' claim, verify it against ground truth (git ancestry + the commit's own diff) using the DOS kernel's dos verify and dos commit-audit — never the…
sickn33/agentic-awesome-skills
Audit preparation register: required document, period covered, request and receipt dates, preparer and reviewer, auditor queries and adjustments.
CherryHQ/cherry-studio
Prepares a Cherry Studio release by resolving the version, collecting commits, writing bilingual release notes, updating version files and creating a release branch.
NousResearch/hermes-agent
Attaches a numbered, URL-backed citation to every outside fact in an answer or document, rejecting quotes that aren't real.
paperclipai/paperclip
Prepare a Paperclip branch for PR with commits, template body, and checks.
paperclipai/paperclip
Prepare MCP/vendor integrations through cited research, a content PR, exact-revision human approval, and one governed Paperclip connector PR per approved connection.
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.
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.
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.
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.
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.
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.
Prepare GPAW DOS workflow scripts from existing ground-state context and user-specified DOS settings. Dos is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare GPAW DOS workflow scripts from existing ground-state context and user-specified DOS settings.
Dos fits situations like: the user requests total/projected DOS setup with explicit prerequisite checks against prior converged calculations.
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dos -a claude-code`. Or copy the skill folder (quantum-chemistry/dft-gpaw/dos in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/dos in your project. Claude Code loads it when a task matches its description.
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dos -a codex`. Or copy the skill folder (quantum-chemistry/dft-gpaw/dos in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/dos in your project. Codex loads it when a task matches its description.
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 dos -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/dos, .gemini/skills/dos, .github/skills/dos and .opencode/skills/dos in your project.
SKILL.md names no scripts, command-line tools or credentials: Dos is instructions for the agent only. Our summary lists: Python 3. Compatibility (from SKILL.md): Requires prerequisite ground-state context and runnable GPAW+ASE Python environment..
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.
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.
Dos is published under the LGPL-3.0-or-later licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.
About 347 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.
Skills that share tags, products or a category with Dos: Dos Verify Done Claims (sickn33/agentic-awesome-skills, 47k stars), Audit Preparation (sickn33/agentic-awesome-skills, 47k stars), Release Preparation (CherryHQ/cherry-studio, 53k stars) and Grounded Citations (NousResearch/hermes-agent, 253k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
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.
