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Nvmolkit Usage

Nvmolkit Usage is an agent skill (a SKILL.md file) from NVIDIA/skills. Agents load it when writing or debugging nvMolKit Python code for GPU-accelerated RDKit fingerprints, similarity, conformers, clustering, and molecular searches. It works with Claude Code, Codex and Cursor and has 3,534 GitHub stars across a repository of 3 listed skills.

github.com/NVIDIA/skills/skills/bionemo-nvmolkit-usage (opens in a new tab)

  • Official
  • Multi-skill repo
  • Plugin marketplace
  • Testing & QA
  • Actively maintained
View on GitHub (opens in a new tab)

Add this skill

Claude

This repository is a Claude Code plugin marketplace. In Claude Code:

/plugin marketplace add NVIDIA/skills
/plugin install nvidia-skills@nvidia-official

In the Claude apps, zip the nvmolkit-usage folder and upload it under Customize > Skills > + > Upload a skill (code execution must be on).

ChatGPT / Codex

Codex reads skills from .agents/skills/ in a repo or ~/.agents/skills/ for every project:

git clone --depth 1 https://github.com/NVIDIA/skills.git
cp -r skills/skills/bionemo-nvmolkit-usage .agents/skills/nvmolkit-usage   # repo; ~/.agents/skills for all projects

Standalone skills also load in the ChatGPT desktop app.

Cursor

Cursor loads skills from .cursor/skills/ (or ~/.cursor/skills/) and also reads .claude/skills/:

git clone --depth 1 https://github.com/NVIDIA/skills.git
cp -r skills/skills/bionemo-nvmolkit-usage .cursor/skills/nvmolkit-usage   # project; ~/.cursor/skills for all projects

Source (checked Oct 7, 2026): code.claude.com/docs/en/skills (opens in a new tab), code.claude.com/docs/en/plugin-marketplaces (opens in a new tab), support.claude.com/en/articles/12512180-using-skills-in-claude (opens in a new tab), learn.chatgpt.com/docs/build-skills (opens in a new tab), cursor.com/docs/context/skills (opens in a new tab)

What this skill does

Use when writing or debugging nvMolKit Python code for GPU-accelerated RDKit fingerprints, similarity, conformers, clustering, and molecular searches. GPU-accelerated, batched implementations of common RDKit operations. APIs mirror RDKit where possible but are batch-oriented: they take lists of rdkit.Chem.Mol (or lists of fingerprints) and process them in parallel on one or more GPUs. nvMolKit links against RDKit at build time; inputs and outputs are real RDKit Mol objects.

When it triggers

  • Use when writing or debugging nvMolKit Python code for GPU-accelerated RDKit fingerprints, similarity, conformers, clustering, and molecular searches.

More skills in NVIDIA/skills

3 skills are listed from this repository.

Similar skills

More testing & qa skills

All Testing & QA

FAQ

Nvmolkit Usage FAQ

Still curious? Email info@appsgit.com.

What is the Nvmolkit Usage skill?

Nvmolkit Usage is an agent skill (a SKILL.md file) from NVIDIA/skills. Agents load it when writing or debugging nvMolKit Python code for GPU-accelerated RDKit fingerprints, similarity, conformers, clustering, and molecular searches. It works with Claude Code, Codex and Cursor and has 3,534 GitHub stars across a repository of 3 listed skills. Its SKILL.md lives at github.com/NVIDIA/skills/skills/bionemo-nvmolkit-usage.

How do I install the Nvmolkit Usage skill?

In Claude Code, run /plugin marketplace add NVIDIA/skills and then /plugin install nvidia-skills@nvidia-official. For Codex or Cursor, copy the nvmolkit-usage folder into .agents/skills/ or .cursor/skills/.

Is the Nvmolkit Usage skill free?

Yes. The repository is open source under the Apache-2.0 license.

Is Nvmolkit Usage maintained?

The repository's most recent commit was on Oct 2, 2026. appsgit only lists skills from repositories with a commit in the last six months.