ClaudSkills / Science & Research / biology-medicine

Smina Molecular Docking

Q: What is a Claude Code skill and how does the Smina Molecular Docking skill fit in?

A Claude Code skill is a SKILL.md file that lives under ~/.claude/skills/<name>/ and tells the Claude Code CLI agent how to perform a specific task (instructions, prompts, allowed tools). Skills are auto-discovered at session start. Smina Molecular Docking is one of 67,000+ skills indexed in the open ClaudSkills catalog, classified under the Science & Research category. Learn more at https://claudskills.com/learn/what-is-skill-md/.

Category: Science & Research · Sub-category: biology-medicine · Last updated: 2026-06-01

smina molecular docking CLI. AutoDock Vina fork with customizable scoring functions, native SDF/MOL2/PDB ligand input, autoboxing, local energy minimization, and per-atom score breakdowns. Pipeline: receptor PDBQT prep -> ligand prep (RDKit/OpenBabel) -> dock via autobox or explicit grid -> rescore/minimize with custom scoring -> rank poses by affinity. Choose smina over Vina when you need custom scoring terms (--custom_scoring), local optimization of an existing pose (--local_only), per-atom contributions (--atom_term_data), or SDF/MOL2 ligands without manual PDBQT conversion. For unknown binding sites use diffdock; for the Python-bindings/Vinardo workflow use autodock-vina-docking.

What this skill does

Smina Molecular Docking is a community-contributed Claude Code skill in the biology-medicine sub-category. It ships as a SKILL.md file that Claude Code auto-discovers under ~/.claude/skills/smina-molecular-docking/ and loads when your prompt matches the skill's trigger.

Who uses this skill

The Smina Molecular Docking Claude Code skill is built for researchers, data scientists, academics, and analysts working with complex data and scientific literature. It's part of ClaudSkills (also referred to as Claude Skills or Claude Code Skills) — the open community-curated registry of 93,000+ SKILL.md files for Anthropic's Claude Code agent and the wider Claude ecosystem (Claude API, Claude Agent SDK).

How to install

Free

Manual install (2 steps)

mkdir -p ~/.claude/skills/smina-molecular-docking
curl -L https://claudskills.com/skills/smina-molecular-docking/SKILL.md \
  -o ~/.claude/skills/smina-molecular-docking/SKILL.md

Or just download SKILL.md directly and drop it into ~/.claude/skills/smina-molecular-docking/. Claude Code auto-discovers it on next session.

Skills live at ~/.claude/skills/smina-molecular-docking/SKILL.md on macOS/Linux, or %USERPROFILE%\.claude\skills\smina-molecular-docking\SKILL.md on Windows. See the full install guide for step-by-step instructions.

📱 Install from your phone or desktop Telegram

Open @claudskills_bot on Telegram, tap Open Desktop App, and the desktop app installs this skill for you. Or share the bot link with a colleague — they get the same one-tap install. Learn more →

Pro

One-click install via the desktop app

The ClaudSkills desktop app installs any skill directly into ~/.claude/skills/ with one click — no terminal required. Pro starts at $9/mo or $149 lifetime.

Pro

For the full experience including quality scoring and one-click install features for each skill — upgrade to Pro.

See pricing → Download desktop app

Frequently asked questions

How do I install the Smina Molecular Docking Claude Code skill?

Install via the ClaudSkills desktop app (one click) or copy SKILL.md from the source repository to ~/.claude/skills/smina-molecular-docking/SKILL.md and restart Claude Code. Both flows are detailed at claudskills.com/install/.

What does the Smina Molecular Docking skill do?

Is this skill free to install?

Yes. ClaudSkills is an open registry — every skill keeps its source repository's license, and manual install via copy is free. ClaudSkills Pro ($9/mo, $79/yr, or $149 one-time) adds one-click install via the desktop app and a multi-signal Quality Score.

When should I use the Smina Molecular Docking skill?

Use Smina Molecular Docking when your Claude Code task falls under the Science & Research category — specifically in the biology medicine area. Claude Code auto-discovers installed skills and invokes the right one based on the task description, so you can also ask Claude directly (e.g. "use Smina Molecular Docking" or describe the task and let Claude pick). Browse related skills at /category/science/.

What is a Claude Code skill and how does the Smina Molecular Docking skill fit in?

A Claude Code skill is a SKILL.md file that lives under ~/.claude/skills/<name>/ and tells the Claude Code CLI agent how to perform a specific task (instructions, prompts, allowed tools). Skills are auto-discovered at session start. Smina Molecular Docking is one of 67,000+ skills indexed in the open ClaudSkills catalog, classified under the Science & Research category. Learn more at /learn/what-is-a-claude-skill/.

Attribution & license

Source: https://github.com/jaechang-hits/scicraft/blob/HEAD/skills/structural-biology-drug-discovery/smina-molecular-docking/SKILL.md
Author: jaechang-hits
Website: https://omicshorizon.ai/en/

Cite this skill

If you reference this skill in a blog post, paper, or documentation, you can cite it as:

APA

jaechang-hits. (2026). Smina Molecular Docking [Claude Code skill]. ClaudSkills. https://claudskills.com/skills/smina-molecular-docking/

BibTeX

@misc{smina-molecular-docking-2026,
  author    = {jaechang-hits},
  title     = {Smina Molecular Docking [Claude Code skill]},
  year      = {2026},
  publisher = {ClaudSkills},
  url       = {https://claudskills.com/skills/smina-molecular-docking/}
}

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Badge

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Part of ClaudSkills — the open registry for Claude Skills & Claude Code Skills. · What's New · Install guide · About · llms.txt

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