dftbplus

dftbplus is a skill for Claude Code, Codex from jinzhezenggroup/computational-chemistry-agent-skills. It costs 74 tokens per session (556 once invoked), scanned A, original, LGPL-3.0.

A routing layer for DFTB+, a program for approximate quantum-mechanical calculations on molecules and materials.

In plain words
What is it for?
Use it to direct requests involving static calculations, geometry relaxation, molecular dynamics, or preparation for later electronic-structure analysis to the appropriate specialized workflow.
Why use it?
It helps identify which workflow is needed instead of treating every DFTB+ request as the same kind of calculation.

Skill for Claude CodeCodex

Which agent this was written for is unclear — body not stored (licence); the path alone says nothing.

Good fit Use it to direct requests involving static calculations, geometry relaxation, molecular dynamics, or preparation for later electronic-structure analysis to the appropriate specialized workflow.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/jinzhezenggroup/computational-chemistry-agent-skills/dftbplus
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dftbplus
Clone the repo
git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for dftbplus

README.md
[![agentmods](https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/dftbplus/github.svg)](https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/dftbplus)
Your own site
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/dftbplus"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/dftbplus/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for dftbplus

Your own site · 80×15
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/dftbplus"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/dftbplus.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 74 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 556 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin unknown No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00074 $0.00556
Opus 5 $0.00037 $0.00278
Sonnet 5 $0.00015 $0.00111
Haiku 4.5 $0.00007 $0.00056

Measured 12d ago against content hash a9186581b212, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

dftbplus scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 12d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

quantum-chemistry/dftbplus/SKILL.md · 73 lines

The source is not reproduced here

Licensed LGPL-3.0

The repository is licensed LGPL-3.0, which this catalogue does not treat as permission to reproduce the file. Read it at the source.

Read it on GitHub

Files

What ships with it

5 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 12d ago First seen · 73 lines · 74 tokens per session scan A a9186581b212

Subscribe to this mod's changes

dftbplus is a skill published in the GitHub repository jinzhezenggroup/computational-chemistry-agent-skills (138 stars, last pushed today), licensed LGPL-3.0. It adds 74 tokens to every session and 556 once invoked, about $0.0004 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

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