nvmolkit-usage

nvmolkit-usage is a skill for Claude Code, Codex from NVIDIA-BioNeMo/nvMolKit. It costs 146 tokens per session (5,555 once invoked), scanned A, original, no licence file.

A skill for writing Python code that uses the installed nvMolKit API for batched, GPU-accelerated chemistry calculations.

In plain words
What is it for?
Use it for molecular fingerprints, similarity calculations, 3D conformers, force-field optimization, conformer comparison, clustering, substructure searches, and maximum common substructure searches.
Why use it?
It helps you use the library’s chemistry operations correctly instead of working out its API from scratch.

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 for molecular fingerprints, similarity calculations, 3D conformers, force-field optimization, conformer comparison, clustering, substructure searches, and maximum common substructure searches.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/nvidia-bionemo/nvmolkit/nvmolkit-usage
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 NVIDIA-BioNeMo/nvMolKit --skill nvmolkit-usage
Clone the repo
git clone --depth 1 https://github.com/NVIDIA-BioNeMo/nvMolKit

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 nvmolkit-usage

README.md
[![agentmods](https://agentmods.dev/badge/skills/nvidia-bionemo/nvmolkit/nvmolkit-usage.svg)](https://agentmods.dev/skills/nvidia-bionemo/nvmolkit/nvmolkit-usage)
Your own site
<a href="https://agentmods.dev/skills/nvidia-bionemo/nvmolkit/nvmolkit-usage"><img src="https://agentmods.dev/badge/skills/nvidia-bionemo/nvmolkit/nvmolkit-usage.svg" alt="Measured on agentmods" height="20"></a>
Per session 146 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 5,555 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 $0.00146 $0.05555
Opus 5 $0.00073 $0.02778
Sonnet 5 $0.00029 $0.01111
Haiku 4.5 $0.00015 $0.00556

Measured 8d ago against content hash 39ec4573a1e8, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-07, from the pricing page.

Security

Grade A, and why

nvmolkit-usage 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 8d 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.

skills/nvmolkit-usage/SKILL.md · 371 lines

The source is not reproduced here

No licence file

A repository with no LICENSE is all rights reserved by default, so the body is not copied here. The metadata, the measurements and the link are.

Read it on GitHub

Files

What ships with it

4 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. 8d ago First seen · 371 lines · 146 tokens per session scan A 39ec4573a1e8

Subscribe to this mod's changes

nvmolkit-usage is a skill published in the GitHub repository NVIDIA-BioNeMo/nvMolKit (274 stars, last pushed 3d ago), with no licence file. It adds 146 tokens to every session and 5,555 once invoked, about $0.0007 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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