Astropy
zLanqing/codex-claude-academic-skills
Comprehensive Python library for astronomy and astrophysics.
Route DFTB+ requests to task-specific subskills based on user intent.
Install Dftbplus
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dftbplus -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dftbplus --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/dftbplus .claude/skills/dftbplus && 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 "dftbplus" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus into .claude/skills/dftbplus/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dftbplus", 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/dftbplusType 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 dftbplus -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dftbplus --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/dftbplus .agents/skills/dftbplus && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "dftbplus" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus into .agents/skills/dftbplus/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dftbplus", 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 dftbplus -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dftbplus --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/dftbplus .cursor/skills/dftbplus && 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 "dftbplus" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus into .cursor/skills/dftbplus/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dftbplus", 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/dftbplus--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 dftbplus -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dftbplus --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/dftbplus .gemini/skills/dftbplus && 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 "dftbplus" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus into .gemini/skills/dftbplus/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dftbplus", 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 dftbplusInstalls 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 dftbplus -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/dftbplus .github/skills/dftbplus && 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 "dftbplus" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus into .github/skills/dftbplus/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dftbplus", 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 dftbplus -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 dftbplus --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/dftbplus .opencode/skills/dftbplus && 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 "dftbplus" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus into .opencode/skills/dftbplus/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dftbplus", 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
dftbplus- GitHub stars
- 148
- Token cost
- ~595 tokens
- SKILL.md length
- 223 words
- Files
- 2 (incl. references)
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- LGPL-3.0-or-later
At a glance
Route DFTB+ requests to task-specific subskills based on user intent.
- Works in 5 steps: If user requests single-point… → If user requests geometry optimization:… → If user requests molecular dynamics:… → …
- The user asks for DFTB+ workflows and you must decide between static
- SKILL.md covers Purpose, Scope, Hard requirement and Routing rules, plus 2 more sections
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Dftbplus is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route DFTB+ requests to task-specific subskills based on user intent. Use when the user asks for DFTB+ workflows and you must decide between static, relaxation, molecular dynamics, or electronic-structure post-ground-state preparation. This orchestration skill dispatches to the correct subskill and enforces consistent handoff to submission skills.
Its SKILL.md is about 600 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 a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements.
It sits in Research & Science, covering Physical and earth sciences. The repository describes itself as: Agent skills to run computational-chemistry tasks, used in OpenClaw. The licence is LGPL-3.0-or-later.
When your agent uses it
- The user asks for DFTB+ workflows and you must decide between static
- Molecular dynamics
- Electronic-structure post-ground-state preparation
Example prompts
- “/dftbplus”
Requirements
- Compatibility (from SKILL.md): Requires a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements.
Workflow steps
5 steps, taken from the first numbered list in SKILL.md.
- If user requests single-point energy/electronic SCF: route to dftbplus/static.
- If user requests geometry optimization: route to dftbplus/relax.
- If user requests molecular dynamics: route to dftbplus/md.
- If user requests band/DOS-style electronic analysis workflow: route to dftbplus/electronic.
- If intent is ambiguous, ask one focused clarification question before routing.
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 a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements.
From compatibility in the SKILL.md frontmatter.
Context cost
Dftbplus loads about 595 tokens when it runs, and up to ~842 if it reads all its reference files. Until then it costs about 90 tokens; SKILL.md has 223 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 LGPL-3.0-or-later licence (© jinzhezenggroup). 223 words, ~595 tokens.
Download SKILL.mdSave it as
.claude/skills/dftbplus/SKILL.md (or your agent's skills folder). This skill also uses 1 other file; get the full folder from GitHub.- name
- dftbplus
- description
- Route DFTB+ requests to task-specific subskills based on user intent. Use when the user asks for DFTB+ workflows and you must decide between static, relaxation, molecular dynamics, or electronic-structure post-ground-state preparation. This orchestration skill dispatches to the correct subskill and enforces consistent handoff to submission skills.
- compatibility
- Requires a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements.
- license
- LGPL-3.0-or-later
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://github.com/dftbplus/dftbplus
DFTB+ Task Router
Use this skill as the top-level DFTB+ orchestration layer.
Purpose
This skill routes requests to one task-specific subskill path:
dftbplus/staticdftbplus/relaxdftbplus/mddftbplus/electronic
Scope
This router skill should:
- require a user-provided structure or prerequisite context
- classify request intent into one DFTB+ task type
- collect minimal shared context before dispatch
- delegate detailed parameter handling to selected subskill
- enforce consistent output/handoff policy across subskills
This router skill should not:
- own detailed input templates for all tasks
- execute or submit calculations
- bypass task-specific guardrails
Hard requirement
The user must provide enough starting context:
- structure input for
static/relax/md - prerequisite ground-state context for
electronic
If prerequisites are missing, stop and ask for them.
Routing rules
- If user requests single-point energy/electronic SCF: route to
dftbplus/static. - If user requests geometry optimization: route to
dftbplus/relax. - If user requests molecular dynamics: route to
dftbplus/md. - If user requests band/DOS-style electronic analysis workflow: route to
dftbplus/electronic. - If intent is ambiguous, ask one focused clarification question before routing.
Shared policy for all subskills
- do not invent missing SK parameter files
- expose assumptions and unresolved scientific choices explicitly
- return handoff-ready task layout
- if execution is requested, hand off to
dpdisp-submit
Output from router
Provide:
- selected subskill path
- why it was selected
- minimal missing inputs (if any)
- explicit next step (invoke selected subskill)
© 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
Files
SKILL.md and 1 other file (references) in quantum-chemistry/dftbplus of jinzhezenggroup/computational-chemistry-agent-skills.
- SKILL.md
- references/commands-and-workflow.md
Open the folder on GitHubat commit 5c19e75
Compare with similar skills
Dftbplus 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 |
|---|---|---|---|---|---|---|
| Dftbplus this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~595 | Automated safety check: Pass | LGPL-3.0-or-later | |
| AstropyzLanqing/codex-claude-academic-skills | 4.7k | 13 repos | ~2.9k | Automated safety check: Pass | BSD-3-Clause | |
| PymatgenzLanqing/codex-claude-academic-skills | 4.7k | 11 repos | ~5k | Automated safety check: Pass | MIT | |
| Cantera Ignition DelayK-Dense-AI/scientific-agent-skills | 48k | 1 repos | ~2.2k | Automated safety check: Pass | MIT | |
| Weathertrpc-group/trpc-agent-go | 1.9k | 8 repos | ~591 | Automated safety check: Pass | Apache-2.0 | |
| Pymol VisualizationChatMol/ChatMol | 373 | — | ~1.2k | Automated safety check: Pass | MIT |
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Get current weather and forecasts via wttr.in or Open-Meteo.
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Generate publication-quality molecular visualization images using PyMOL.
Review
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Write domain-authentic review articles that synthesize rather than stack.
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Related
Categories
Questions about Dftbplus
What does Dftbplus do?
Route DFTB+ requests to task-specific subskills based on user intent. Dftbplus is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route DFTB+ requests to task-specific subskills based on user intent.
When should I use Dftbplus?
Dftbplus fits situations like: the user asks for DFTB+ workflows and you must decide between static; molecular dynamics; electronic-structure post-ground-state preparation.
How do I install Dftbplus in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dftbplus -a claude-code`. Or copy the skill folder (quantum-chemistry/dftbplus in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/dftbplus in your project. Claude Code loads it when a task matches its description.
How do I install Dftbplus in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dftbplus -a codex`. Or copy the skill folder (quantum-chemistry/dftbplus in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/dftbplus in your project. Codex loads it when a task matches its description.
Can I use Dftbplus 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 dftbplus -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/dftbplus, .gemini/skills/dftbplus, .github/skills/dftbplus and .opencode/skills/dftbplus in your project.
What does Dftbplus need to run?
SKILL.md names no scripts, command-line tools or credentials: Dftbplus is instructions for the agent only. Compatibility (from SKILL.md): Requires a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements..
Does Dftbplus 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 Dftbplus 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 Dftbplus use?
Dftbplus 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.
How many tokens does Dftbplus use?
About 595 tokens (SKILL.md is roughly 2.4k 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 247 tokens, read only when the agent opens those files.
What are the alternatives to Dftbplus?
Skills that share tags, products or a category with Dftbplus: Astropy (zLanqing/codex-claude-academic-skills, 4.7k stars), Pymatgen (zLanqing/codex-claude-academic-skills, 4.7k stars), Cantera Ignition Delay (K-Dense-AI/scientific-agent-skills, 48k stars) and Weather (trpc-group/trpc-agent-go, 1.9k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Dftbplus?
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.