end-to-end-protein-design-workflow

end-to-end-protein-design-workflow is a skill for Claude Code, Codex from zongtingwei/Bioclaw_Skills_Hub. It costs 98 tokens per session (1,480 once invoked), scanned A, original, MIT.

A tool for comparing a protein’s three-dimensional structure with structures in databases such as the Protein Data Bank (PDB) and AlphaFold Database.

In plain words
What is it for?
Searching for structural relatives, possible evolutionary matches, similar binding shapes, and groups of related protein structures.
Why use it?
It can find related structures that a DNA or amino-acid sequence search may miss.

Skill for Claude CodeCodex

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

Good fit Searching for structural relatives, possible evolutionary matches, similar binding shapes, and groups of related protein structures.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/zongtingwei/bioclaw_skills_hub/end-to-end-protein-design-workflow
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 zongtingwei/Bioclaw_Skills_Hub --skill end-to-end-protein-design-workflow
Clone the repo
git clone --depth 1 https://github.com/zongtingwei/Bioclaw_Skills_Hub

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 end-to-end-protein-design-workflow

README.md
[![agentmods](https://agentmods.dev/badge/skills/zongtingwei/bioclaw_skills_hub/end-to-end-protein-design-workflow/github.svg)](https://agentmods.dev/skills/zongtingwei/bioclaw_skills_hub/end-to-end-protein-design-workflow)
Your own site
<a href="https://agentmods.dev/skills/zongtingwei/bioclaw_skills_hub/end-to-end-protein-design-workflow"><img src="https://agentmods.dev/badge/skills/zongtingwei/bioclaw_skills_hub/end-to-end-protein-design-workflow/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 end-to-end-protein-design-workflow

Your own site · 80×15
<a href="https://agentmods.dev/skills/zongtingwei/bioclaw_skills_hub/end-to-end-protein-design-workflow"><img src="https://agentmods.dev/badge/skills/zongtingwei/bioclaw_skills_hub/end-to-end-protein-design-workflow.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 98 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,480 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 1 finding. 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 $0.00098 $0.01480
Opus 5 $0.00049 $0.00740
Sonnet 5 $0.00020 $0.00296
Haiku 4.5 $0.00010 $0.00148

Measured 12d ago against content hash 1abc1c5f4bd4, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

end-to-end-protein-design-workflow scanned grade A with 1 finding 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 12d 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.

Makes network callslowCapability

Not a fault in itself. Listed so you know the mod talks to something, and to what.

curl -o target.pdb "https://files.rcsb.org/download/XXXX.pdb"
skills/protein-design/skills/end-to-end-protein-design-workflow/SKILL.md · 218 lines

How it starts

The opening of the file, as written. The whole thing — 218 lines — stays where its author put it; the contents beside it link to each section on GitHub.

End-to-End Protein Design Workflow

Plain-language role: Use this skill when you want the full pipeline, from target preparation through final QC.

Standard binder design pipeline

Overview

Target Preparation --> Backbone Generation --> Sequence Design
         |                     |                     |
         v                     v                     v
    (pdb skill)          (rfdiffusion)         (proteinmpnn)
                               |                     |
                               v                     v
                        Structure Validation --> Filtering
                               |                     |
                               v                     v
                         (alphafold2-multimer/chai1-structure-prediction)      (protein-design-qc)

Phase 1: Target preparation

1.1 Obtain target structure

# Download from PDB
curl -o target.pdb "https://files.rcsb.org/download/XXXX.pdb"

1.2 Clean and prepare

# Extract target chain
# Remove waters, ligands if needed
# Trim to binding region + 10A buffer

1.3 Select hotspots

  • Choose 3-6 exposed residues
  • Prefer charged/aromatic (K, R, E, D, W, Y, F)
  • Check surface accessibility
  • Verify residue numbering

Output: target_prepared.pdb, hotspot list

Phase 2: Backbone generation

Option A: RFdiffusion (diverse exploration)

modal run modal_rfdiffusion.py \
  --pdb target_prepared.pdb \
  --contigs "A1-150/0 70-100" \
  --hotspot "A45,A67,A89" \
  --num-designs 500

Option B: BindCraft (end-to-end)

modal run modal_bindcraft.py \
  --target-pdb target_prepared.pdb \
  --hotspots "A45,A67,A89" \
  --num-designs 100

Output: 100-500 backbone PDBs

Phase 3: Sequence design

For RFdiffusion backbones

for backbone in backbones/*.pdb; do
  modal run modal_proteinmpnn.py \
    --pdb-path "$backbone" \
    --num-seq-per-target 8 \
    --sampling-temp 0.1
done

Output: 8 sequences per backbone (800-4000 total)

Read the full file on GitHub · 218 lines

Files

What ships with it

3 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

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. 12d ago First seen · 218 lines · 98 tokens per session scan A 1abc1c5f4bd4

Subscribe to this mod's changes

end-to-end-protein-design-workflow is a skill published in the GitHub repository zongtingwei/Bioclaw_Skills_Hub (26 stars, last pushed 5mo ago), licensed MIT. It adds 98 tokens to every session and 1,480 once invoked, about $0.0005 per session on Opus 5. A static security scan graded it A with 1 finding (makes network calls). No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

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