boltz

boltz is a skill for Claude Code, Codex from aipoch/open-science. It costs 88 tokens per session (1,482 once invoked), scanned A, original, Apache-2.0.

A structure-prediction tool for complexes containing proteins, DNA, RNA, and small molecules. It takes a YAML description of the components and produces an mmCIF structure file with confidence scores.

In plain words
What is it for?
Use it to validate designed protein binders, model protein–DNA or protein–RNA complexes, and co-fold proteins with molecules described by SMILES or a chemical-component code. It can also provide an optional small-molecule affinity estimate.
Why use it?
It lets you assess how different biological components may fit together in one model, including a protein with a drug-like molecule. Each protein chain still needs a multiple-sequence alignment, or MSA, before prediction.

Skill for Claude CodeCodex

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

Good fit Use it to validate designed protein binders, model protein–DNA or protein–RNA complexes, and co-fold proteins with molecules described by SMILES or a chemical-component code. It can also provide an optional small-molecule affinity estimate.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/aipoch/open-science/boltz
About the project

Open Science is a local-first, model-agnostic workbench for reproducible scientific research. Scientists use its AI agents, Python and R execution, data connectors, and traceable outputs for tasks such as literature review, analysis, simulation, and visualization across macOS, Windows, and Linux.

aipoch/open-science · 5,354 stars · on GitHub · aipoch.com

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 aipoch/open-science --skill boltz
Clone the repo
git clone --depth 1 https://github.com/aipoch/open-science

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 boltz

README.md
[![agentmods](https://agentmods.dev/badge/skills/aipoch/open-science/boltz/github.svg)](https://agentmods.dev/skills/aipoch/open-science/boltz)
Your own site
<a href="https://agentmods.dev/skills/aipoch/open-science/boltz"><img src="https://agentmods.dev/badge/skills/aipoch/open-science/boltz/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 boltz

Your own site · 80×15
<a href="https://agentmods.dev/skills/aipoch/open-science/boltz"><img src="https://agentmods.dev/badge/skills/aipoch/open-science/boltz.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 88 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,482 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 warn 7 Sept 2026
SkillSpector: 2 findings, up to medium

These are SkillSpector’s own severities. On a checked sample its high-severity flags on skills were ~96% false positives — a documented command, a public API, a “never do X” rule — so we show them as a caution to read, not a verdict. Why →

  • medium analysis-evasion · line 1
    Suspicious Unicode normalization or mixed-script content
    Fix: Review the flagged content for security risks. Ensure no credentials, secrets, or sensitive data are exposed.
  • medium Prompt Injection · line 112
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
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 $0.00088 $0.01482
Opus 5.5 $0.00035 $0.00593
Sonnet 5.5 $0.00018 $0.00296
Haiku 4.5 $0.00009 $0.00148

Measured 1mo ago against content hash 3971ac101972, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

boltz 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.

Origin

Copies of this mod

2 near-identical copies found in the catalogue:

  • boltz — 100% identical, 18 lines differ
  • boltz — 89% identical, 240 lines differ
resources/skills/boltz/SKILL.md · 123 lines

How it starts

The opening of the file, as written. The whole thing — 123 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Boltz-2

Boltz-2 is the open-weights diffusion co-folder closest in surface to AlphaFold3: a YAML describing protein, DNA, RNA, and ligand chains in, mmCIF plus pTM/ipTM/pLDDT confidences out, with an optional small-molecule affinity head. Among our four co-fold skills it is the default for binder-validation campaigns — fully open MIT weights and the fastest sampler; pick chai1 when you want a second independent model for consensus, openfold3 when AF3-faithful settings matter, and esmfold2 when you can live without an MSA. Code and weights are MIT (PyPI boltz, github.com/jwohlwend/boltz).

Running it

# complex.yaml
version: 1
sequences:
  - protein:
      id: A
      sequence: MVTPEGNVSLVDESLLVGVTDEDRAVRS... # target
  - protein:
      id: B
      sequence: AIQRTPKIQVYSRHPAENG... # binder
  - ligand:
      id: L
      smiles: 'N[C@@H](Cc1ccc(O)cc1)C(=O)O' # or  ccd: SAH
boltz predict complex.yaml \
    --use_msa_server --out_dir out/ --recycling_steps 3 --diffusion_samples 5

Each protein chain needs an MSA; without one the run exits before the model loads. --use_msa_server queries api.colabfold.com (expect a 30–90 s pause per chain) and is the right default unless you already have an .a3m to name under msa: in the YAML. Setting msa: empty forces single-sequence mode — that is an accuracy sacrifice, not a speed or memory optimization, because the MSA search runs on CPU before the GPU stage starts.

Per input the output lands at out/boltz_results_complex/predictions/complex/. Read confidence_complex_model_0.json first: iptm > 0.5 is the community pass line for an interface, complex_plddt > 0.7 for the fold itself, and confidence_score is the weighted aggregate the structures are ranked by. Structures themselves are complex_model_{0..N-1}.cif (or .pdb with --output_format pdb).

Affinity head

Add a properties: block naming one ligand chain as the binder and Boltz-2 predicts protein–small-molecule binding affinity alongside the structure:

Read the full file on GitHub · 123 lines

Files

What ships with it

1 file 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. 1mo ago First seen · 123 lines · 88 tokens per session scan A 3971ac101972

Subscribe to this mod's changes

boltz is a skill published in the GitHub repository aipoch/open-science (5,354 stars, last pushed today), licensed Apache-2.0. It adds 88 tokens to every session and 1,482 once invoked, about $0.0004 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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