molclaw-diffdock-auto

molclaw-diffdock-auto is a skill for Claude Code, Codex from InternScience/MolClaw. It costs 54 tokens per session (280 once invoked), scanned A, original, MIT.

Instructions for an automated DiffDock workflow, where DiffDock predicts how a drug-like molecule may fit into a protein. The workflow is currently unavailable, and the instructions list other docking tools instead.

In plain words
What is it for?
Use them when handling protein–ligand docking with PDB files, while choosing one of the listed available alternatives.
Why use it?
They prevent agents from calling a disabled tool and explain the required file-upload and protein-structure preparation steps for related workflows.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use them when handling protein–ligand docking with PDB files, while choosing one of the listed available alternatives.

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Install with agentmods
npx agentmods add skills/internscience/molclaw/molclaw-diffdock-auto
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 InternScience/MolClaw --skill molclaw-diffdock-auto
Clone the repo
git clone --depth 1 https://github.com/InternScience/MolClaw

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 molclaw-diffdock-auto

README.md
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Your own site
<a href="https://agentmods.dev/skills/internscience/molclaw/molclaw-diffdock-auto"><img src="https://agentmods.dev/badge/skills/internscience/molclaw/molclaw-diffdock-auto/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.

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Your own site · 80×15
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Per session 54 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 280 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 original 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 $0.00054 $0.00280
Opus 5.5 $0.00022 $0.00112
Sonnet 5.5 $0.00011 $0.00056
Haiku 4.5 $0.00005 $0.00028

Measured 1mo ago against content hash fa2cc2527fe3, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

molclaw-diffdock-auto 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 1mo ago.

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.

skills/L1_tools/molclaw-diffdock-auto/SKILL.md · 19 lines

What it actually says

DiffDock Automated Protein-Ligand Docking

Note:

  • Local files are not directly accessible by the server. Please upload them to the server using molclaw-file-transfer before execution.
  • For PDB file inputs, it is recommended to preprocess them using molclaw-pdbfixer before execution.
  • Please refer to skill molclaw-scp-server to complete tool invocation.

⚠ TOOL NOT AVAILABLE: The diffdock_auto tool is not currently deployed on the MCP server. The DiffDock API endpoint is disabled. Do NOT attempt to call diffdock_auto. Use one of these alternatives instead:

  • molecule_docking_quickvina_fullprocess — GPU-accelerated AutoDock Vina variant (see skill molclaw-quickvina-docking)
  • karmadock_tool — ML-based docking (see skill molclaw-karmadock-tool)
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. 1mo ago First seen · 19 lines · 54 tokens per session scan A fa2cc2527fe3

Subscribe to this mod's changes

molclaw-diffdock-auto is a skill published in the GitHub repository InternScience/MolClaw (38 stars, last pushed 1mo ago), licensed MIT. It adds 54 tokens to every session and 280 once invoked, about $0.0002 per session on Opus 5.5. 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 2026-08-30.

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