molclaw-proteinmpnn-tool

molclaw-proteinmpnn-tool is a skill for Claude Code, Codex from InternScience/MolClaw. It costs 26 tokens per session (945 once invoked), scanned A, original, MIT.

A tool for designing or scoring protein sequences from three-dimensional protein structure files. ProteinMPNN is a machine-learning workflow that proposes amino-acid sequences for a supplied structure.

In plain words
What is it for?
Use it to generate or score sequences from PDB files, optionally selecting chains, model settings, sampling temperatures, or fixed positions.
Why use it?
It helps explore which sequences may fit a target protein structure without designing each candidate manually.

Skill for Claude CodeCodex

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

Good fit Use it to generate or score sequences from PDB files, optionally selecting chains, model settings, sampling temperatures, or fixed positions.

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

Made for: Claude Code, Codex.

Wrote this? Show the measurements

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README.md
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Per session 26 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 945 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. Third-party audits
  • NVIDIA SkillSpector pass 7 Sept 2026
How audits are shown
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 $0.00026 $0.00945
Opus 5 $0.00013 $0.00473
Sonnet 5 $0.00005 $0.00189
Haiku 4.5 $0.00003 $0.00094

Measured 9d ago against content hash 36d62a0ee55f, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-09, from the pricing page.

Security

Grade A, and why

molclaw-proteinmpnn-tool 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.

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-proteinmpnn-tool/SKILL.md · 95 lines

How it starts

The opening of the file, as written. The whole thing — 95 lines — stays where its author put it; the contents beside it link to each section on GitHub.

ProteinMPNN Sequence Design

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.

Usage

1. Protein Sequence Design and Scoring

The description of tool proteinmpnn_tool.

Run ProteinMPNN sequence design or scoring from protein structures with optional chain constraints and amino-acid controls.
Args:
    pdb_input (str): Input PDB file path or a directory containing multiple PDB files.
    model_name (str): Model name in {v_48_002, v_48_010, v_48_020, v_48_030} (default: "v_48_020").
    use_soluble (bool): Use soluble-protein model weights (default: False).
    ca_only (bool): Run CA-only model mode (default: False).
    num_seq (int): Number of sequences generated per target (default: 8).
    sampling_temp (str): Sampling temperature string; supports multiple values separated by spaces (default: "0.1").
    chains_to_design (str): Chain IDs to redesign, e.g. "A" or "A C" (default: "").
    fixed_positions (str): Residue position lists for chain constraints (default: "").
    specify_non_fixed (bool): Interpret listed positions as designable positions instead of fixed positions (default: False).
    homooligomer (bool): Enable tied-position design for homooligomers (default: False).
    omit_aas (str): Globally omitted amino acids (default: "X").
    bias_aa (str): Amino-acid bias JSON string (default: "").
    score_only (bool): Run scoring-only mode instead of sequence generation (default: False).
    path_to_fasta (str): FASTA path used in scoring mode (default: "").
    save_probs (bool): Save probability matrices (default: False).
    seed (int): Random seed (default: 0).
    skip_check (bool): Skip dependency checks in source pipeline (default: False).
    dry_run (bool): Validate inputs and create run directory without executing the pipeline (default: False).
Return:
    status (str): "success", "error", or "partial_success".
    msg (str): Human-readable execution summary.
    output_dir (str): Unique run directory under tool_result/proteinmpnn_tool_result.
    results_dir (str): Result directory path under output_dir/results.
    model_name (str): Effective model name used in this run.
    num_seq (int): Effective number of sequences used in this run.
    sampling_temp (str): Effective sampling temperature used in this run.
    score_only (bool): Effective scoring mode flag.
    dry_run (bool): Effective dry-run flag.
    output_files (dict): Produced output paths such as seqs/scores/probs directories.
    metrics (dict): Summary metrics, including sequence/score/prob file counts when available.

Read the full file on GitHub · 95 lines

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 · 95 lines · 26 tokens per session scan A 36d62a0ee55f

Subscribe to this mod's changes

molclaw-proteinmpnn-tool is a skill published in the GitHub repository InternScience/MolClaw (33 stars, last pushed 1mo ago), licensed MIT. It adds 26 tokens to every session and 945 once invoked, about $0.0001 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 2026-08-30.

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