deepmd-python-inference

deepmd-python-inference is a skill for Claude Code, Codex from jinzhezenggroup/computational-chemistry-agent-skills. It costs 89 tokens per session (2,999 once invoked), scanned A, original, LGPL-3.0.

A Python workflow for using DeePMD-kit models to predict properties of atomic systems. DeePMD-kit is software that uses trained models to estimate quantities such as energy, atomic forces, and virials from atomic configurations.

In plain words
What is it for?
Use it to run predictions, calculate model descriptors, or measure model deviation in molecular and materials simulations.
Why use it?
It provides a defined way to load trained, frozen, or built-in models and run predictions without building the inference process from scratch. It can also compare model outputs to estimate disagreement.

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 run predictions, calculate model descriptors, or measure model deviation in molecular and materials simulations.

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

README.md
[![agentmods](https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/deepmd-python-inference/github.svg)](https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/deepmd-python-inference)
Your own site
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/deepmd-python-inference"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/deepmd-python-inference/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 deepmd-python-inference

Your own site · 80×15
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/deepmd-python-inference"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/deepmd-python-inference.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 89 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 2,999 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 $0.00089 $0.02999
Opus 5.5 $0.00036 $0.01200
Sonnet 5.5 $0.00018 $0.00600
Haiku 4.5 $0.00009 $0.00300

Measured yesterday against content hash 1257e5a6777e, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

deepmd-python-inference 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 yesterday.

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.

machine-learning-potentials/deepmd-python-inference/SKILL.md · 315 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

3 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. yesterday Changed · +13 lines · -13 tokens per session 1257e5a6777e
  2. 1mo ago First seen · 302 lines · 102 tokens per session scan A b34f7704af1b

Subscribe to this mod's changes

deepmd-python-inference is a skill published in the GitHub repository jinzhezenggroup/computational-chemistry-agent-skills (155 stars, last pushed yesterday), licensed LGPL-3.0. It adds 89 tokens to every session and 2,999 once invoked, about $0.0004 per session on Opus 5.5. 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.