BAGEL Script Builder skill

The bagel-script-builder skill from the BAGEL repository turns a protein design goal into a script and a launcher for sweeps.

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  • MIT
Skill

Extended access

Why this level

  • Scripts start heavy computations and cluster submissions that cost money and time.
  • AI-generated code needs review before running.
All reasons and checks

softnanolab/bagel

Install

In your terminal, with SkillFoxx CLI

npx skillfoxx add skills/bagel-script-builder

Detects the agents on your machine, shows the access level and pins the version.

Other ways to install

Access and checks

How we review

Extended accessThe tool runs code or makes network calls and only reads external data.

  • Scripts start heavy computations and cluster submissions that cost money and time.
  • AI-generated code needs review before running.

This is third-party code. Review the repository files before installing.

What it does

BAGEL, a Python framework for programmable protein design, ships with the `bagel-script-builder` skill. The agent clarifies the design goal from a checklist of questions and writes a verbose, commented script. Every script opens with a note that the code was produced with AI assistance and needs review. For sweeps the skill provides launchers: serial runs, background runs, submission to a SLURM or PBS cluster and parallel runs on Modal. Each configuration goes into its own folder. The repository also holds a second skill, `sae-feature-annotations`.

Who it is for. Protein researchers and bioinformaticians who describe a task in words and want a working BAGEL script instead of assembling energy terms and oracles by hand.

Good fit when

  • A binder peptide must be designed for a target across several seeds.
  • A set of configurations goes to a SLURM cluster through one launcher command.
  • An agent builds a script with ESMFold or Boltz2 oracles from a goal description.
  • A team wants to smoke test scripts for one step on Modal before a long run.

Not a fit when

  • You need a finished model or a result without running computations.
  • There is no access to a GPU cluster or Modal.
  • The work is not about proteins, so BAGEL does not fit.

Example request

Use BAGEL to design a 30-residue binder to CD20 and run 8 seeds serially in the background.

Limitations

The skill writes scripts, but the computing happens in BAGEL and plugged-in models such as ESMFold, Boltz2 and AlphaFold2, which need installation and strong hardware. A person should review generated code before spending machine time. The README asks users to cite the published BAGEL paper. The skill lives in the repository `.claude/skills/` folder and works with the project after cloning or copying into a personal skills directory.

How to disable. Delete `~/.claude/skills/bagel-script-builder` if you copied the skill. In the repository it sits in `.claude/skills/` and can simply go unused.

FAQ

How do I make the skill global?

Copy the folder with `cp -r .claude/skills/bagel-script-builder ~/.claude/skills/`. Inside the repository Claude Code finds it without copying.

Does it work with other agents?

Yes. `SKILL.md` is self-contained, so ask any agent to read it with the `references/` folder and follow the described flow.

What does the skill produce?

A verbose script with a single `main()`, an optional one-step smoke test on Modal and, for sweeps, a `sweep_runner.py` or `submit_cluster.py` launcher.

Where does BAGEL itself install from?

The recommended route is PyPI, where the package is called `biobagel`. Python 3.12 is required.

What is the second skill?

`sae-feature-annotations` sits beside it in `.claude/skills/` with a `sae_features.py` script and an API reference. Its use is described in that skill `SKILL.md`.

Discussion

No questions or reviews yet.

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README in short

The agent section of the README describes the path from a plain-language goal to a script and a sweep. It runs through an interview, API references and launch templates.

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