Diffdock Nim — Agent Skill by NVIDIA

From the author

Run DiffDock molecular docking via NVIDIA NIM to predict small-molecule binding poses against protein targets. Use for DiffDock, molecular docking, ligand docking, blind docking, SMILES or SDF ligands, ranked poses, confidence scores, hosted NVIDIA API, or local Docker deployment.

— the description by NVIDIA

Install

Get the skill from its source (we cannot redistribute it):
https://github.com/NVIDIA/skills/tree/fce3cca4170be75e82c64920654d56ee2811b005/skills/bionemo-diffdock-nim

Documentation by NVIDIA

The licence of this skill does not allow us to copy its documentation. Read it at the source

Files

BENCHMARK.md(opens on GitHub)Not mirrored: opens on GitHub6.9 KiB
SKILL.md(opens on GitHub)Not mirrored: opens on GitHub4.2 KiB
config/skillspector-baseline.yml(opens on GitHub)Not mirrored: opens on GitHub876 B
evals/config.yml(opens on GitHub)Not mirrored: opens on GitHub117 B
evals/evals.json(opens on GitHub)Not mirrored: opens on GitHub6.5 KiB
evals/files/protein.pdb(opens on GitHub)Not mirrored: opens on GitHub246.8 KiB
evals/trigger_evals.json(opens on GitHub)Not mirrored: opens on GitHub2.2 KiB
references/api.md(opens on GitHub)Not mirrored: opens on GitHub4.5 KiB
references/examples.md(opens on GitHub)Not mirrored: opens on GitHub2.0 KiB
references/parameters.md(opens on GitHub)Not mirrored: opens on GitHub998 B
references/science.md(opens on GitHub)Not mirrored: opens on GitHub1.9 KiB
references/validation.md(opens on GitHub)Not mirrored: opens on GitHub1.8 KiB
skill-card.md(opens on GitHub)Not mirrored: opens on GitHub4.3 KiB
skill.oms.sig(opens on GitHub)Not mirrored: opens on GitHub6.5 KiB

Requirements and compatibility

Works with: Claude Code, Claude apps, OpenAI Codex, GitHub Copilot, Cursor, Gemini CLI, Kiro, OpenCode, Goose, Amp, Roo Code, JetBrains Junie, Factory Droid, Devin (ex-Windsurf), Mistral Vibe, OpenHands, Letta

“Works with” means the tool reads the open Agent Skills format; a skill written for one tool may use features others lack.

Needs: Declares allowed tools, Needs network access, Needs an API key, Needs Python

The author says: requests>=2.28

Security

What our scanner noticed· Medium risk

Large base64-encoded blobs
Instructions that use the network

A static scan is not a guarantee. Skills are third-party content: review a skill before you let an agent use it.

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