# Nvmolkit Usage (agent 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.

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.

## Key facts

| Fact | Value |
|---|---|
| Repository | https://github.com/NVIDIA/skills |
| Skill path | skills/bionemo-nvmolkit-usage/SKILL.md |
| Skill name | nvmolkit-usage |
| GitHub stars | 3,534 |
| Installs on skills.sh | not listed |
| License | Apache-2.0 |
| Skills in repo | 3 |
| Plugin marketplace | nvidia-official |
| Official | yes |
| Works with | Claude Code, Codex, Cursor |
| Category | Testing & QA |
| Last commit | Oct 2, 2026 |

## When it triggers

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

## Add this skill

### Claude Code

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

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

### ChatGPT / Codex

```sh
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
```

### Cursor

```sh
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
```

Sources (checked 2026-10-07): https://code.claude.com/docs/en/skills, https://support.claude.com/en/articles/12512180-using-skills-in-claude, https://learn.chatgpt.com/docs/build-skills, https://cursor.com/docs/context/skills

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Canonical page: https://appsgit.com/skills/nvidia-nvmolkit-usage
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