diffdock

diffdock is a skill for Claude Code, Codex from BbgnsurfTech/claude-skills-collection. It costs 40 tokens per session (3,601 once invoked), scanned A, original, no licence file.

A molecular docking tool that predicts how a small molecule may fit into a protein structure. It uses protein structures and molecule descriptions such as PDB and SMILES files.

In plain words
What is it for?
It helps explore protein-ligand binding and screen many candidate molecules. It does not predict binding strength.
Why use it?
It provides likely binding poses for early drug-design work without requiring manual placement of each molecule.

Skill for Claude CodeCodex

Which agent this was written for is unclear — body not stored (licence); the path alone says nothing.

Good fit It helps explore protein-ligand binding and screen many candidate molecules. It does not predict binding strength.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/bbgnsurftech/claude-skills-collection/diffdock
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 BbgnsurfTech/claude-skills-collection --skill diffdock
Clone the repo
git clone --depth 1 https://github.com/BbgnsurfTech/claude-skills-collection

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 diffdock

README.md
[![agentmods](https://agentmods.dev/badge/skills/bbgnsurftech/claude-skills-collection/diffdock/github.svg)](https://agentmods.dev/skills/bbgnsurftech/claude-skills-collection/diffdock)
Your own site
<a href="https://agentmods.dev/skills/bbgnsurftech/claude-skills-collection/diffdock"><img src="https://agentmods.dev/badge/skills/bbgnsurftech/claude-skills-collection/diffdock/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for diffdock

Your own site · 80×15
<a href="https://agentmods.dev/skills/bbgnsurftech/claude-skills-collection/diffdock"><img src="https://agentmods.dev/badge/skills/bbgnsurftech/claude-skills-collection/diffdock.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 40 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 3,601 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 $0.00040 $0.03601
Opus 5 $0.00020 $0.01801
Sonnet 5 $0.00008 $0.00720
Haiku 4.5 $0.00004 $0.00360

Measured 9d ago against content hash 0a256757c23f, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

diffdock 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 9d ago.

The scan reads SKILL.md. This mod also ships 3 executable files (scripts/analyze_results.py, scripts/prepare_batch_csv.py, scripts/setup_check.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

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.

community/individual-skills/claude-scientific-skills/scientific-skills/diffdock/SKILL.md · 478 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

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. 9d ago First seen · 478 lines · 40 tokens per session scan A 0a256757c23f

Subscribe to this mod's changes

diffdock is a skill published in the GitHub repository BbgnsurfTech/claude-skills-collection (21 stars, last pushed 8mo ago), with no licence file. It adds 40 tokens to every session and 3,601 once invoked, about $0.0002 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 2026-09-03.

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