Agent skill

Alphafold3

by VectorSpaceLab in VectorSpaceLab/AREX-Skill

A skill your agent uses for AlphaFold 3 input preparation, prediction command planning, output interpretation, and Python API inspection.

Apache-2.0Auto-check passedResearch & Science

Install Alphafold3

skills CLI
$ npx skills add VectorSpaceLab/AREX-Skill --skill alphafold3 -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install VectorSpaceLab/AREX-Skill alphafold3 --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/VectorSpaceLab/AREX-Skill.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/repositories/repo-skills/alphafold3 .claude/skills/alphafold3 && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
alphafold3
GitHub stars
330
Token cost
~1.2k tokens
SKILL.md length
444 words
Files
7 (incl. scripts, references)
Skills in repo
159
Repo updated
First seen
Licence
Apache-2.0

At a glance

A skill your agent uses for AlphaFold 3 input preparation, prediction command planning, output interpretation, and Python API inspection.

  • AlphaFold 3 input preparation
  • SKILL.md covers Quick Route, First Checks, Common Task Routing and Repository Facts, plus 2 more sections
  • Runs Python scripts from its folder; calls python
  • Prediction command planning

What it does

Alphafold3 is an agent skill from VectorSpaceLab/AREX-Skill. Use this skill for AlphaFold 3 input preparation, prediction command planning, output interpretation, and Python API inspection. Covers the local AlphaFold 3 inference package, its JSON dialect, runalphafold workflow, outputs, troubleshooting, and safe helper scripts.

Its SKILL.md is about 1.2k tokens, which your agent loads only when the skill is triggered. The skill folder holds 8 other files, including scripts and reference files (for example `references/capability-map.md`, `references/repo-provenance.md` and `references/repo-routing-metadata.json`).

It sits in Research & Science, covering Protein structure and design. It works with AlphaFold and Python. The repository describes itself as: A Skill Library for Automated Machine Learning. The licence is Apache-2.0.

When your agent uses it

  • AlphaFold 3 input preparation
  • Prediction command planning
  • Output interpretation
  • Python API inspection

Example prompts

  • “/alphafold3”

Requirements

  • Python 3
  • Docker

What it can do on your machine

Read from SKILL.md and the folder at commit ac3fe1a. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    Ships 1 file in scripts/ (Python), which the agent can run.

    Shell commands in SKILL.md call:

    • python

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    No URLs in SKILL.md.

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names no API keys, tokens, secrets or passwords.

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Alphafold3 loads about 1.2k tokens when it runs, and up to ~3.8k if it reads all its reference files. Until then it costs about 70 tokens; SKILL.md has 444 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~70
When it runs · the whole SKILL.md, loaded when a task matches
~1.2k
With references · SKILL.md plus every file in references/, read only if the agent opens them
~3.8k

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); the scripts in this folder are not scanned.

SKILL.md

The full file from VectorSpaceLab/AREX-Skill at commit ac3fe1a, republished under its Apache-2.0 licence (© VectorSpaceLab). 444 words, ~1,197 tokens.

Download SKILL.mdSave it as .claude/skills/alphafold3/SKILL.md (or your agent's skills folder). This skill also uses 6 other files; get the full folder from GitHub.
name
alphafold3
description
Use this skill for AlphaFold 3 input preparation, prediction command planning, output interpretation, and Python API inspection. Covers the local AlphaFold 3 inference package, its JSON dialect, run_alphafold workflow, outputs, troubleshooting, and safe helper scripts.
disable-model-invocation
true
metadata.disco-role
operating
license
Apache 2.0

AlphaFold 3

Use this repo skill when a user asks an agent to work with AlphaFold 3 inference workflows: preparing fold-input JSON, planning or debugging prediction runs, interpreting output directories, or writing safe Python tooling around the package.

AlphaFold 3 full prediction is operationally heavy. It requires Linux, model parameters obtained under the AlphaFold 3 terms, genetic databases, HMMER tools, compatible JAX/CUDA runtime, and an NVIDIA GPU for inference. Do not run full inference, download databases, mount disks, or fetch model weights unless the user explicitly asks and the environment is ready.

Quick Route

  • Use sub-skills/input-preparation/ when constructing, validating, converting, or troubleshooting AlphaFold 3 input JSON.
  • Use sub-skills/running-predictions/ when planning Docker/local commands, split data-pipeline/inference runs, database/model paths, GPU flags, HMMER tools, or runtime preflight checks.
  • Use sub-skills/output-interpretation/ when inspecting result directories, ranking predictions, explaining confidence JSONs, embeddings, distograms, compression, or missing output files.
  • Use sub-skills/python-apis/ when coding against AlphaFold 3 internals such as folding_input.Input, DataPipelineConfig, make_model_config, process_fold_input, ModelRunner, or structure/mmCIF utilities.

First Checks

For a local Python installation, start with a safe import/resource check rather than a prediction run:

bash
python scripts/check_install.py

If the package imports fail, read references/troubleshooting.md. If the input JSON is the suspected problem, use sub-skills/input-preparation/scripts/validate_fold_input.py. If runtime paths or binaries are suspected, use sub-skills/running-predictions/scripts/check_runtime_requirements.py.

Common Task Routing

User asks forRead firstUseful bundled helper
“Create an AF3 JSON for a protein-ligand complex”sub-skills/input-preparation/SKILL.mdsub-skills/input-preparation/scripts/validate_fold_input.py
“Convert/check AlphaFold Server JSON”sub-skills/input-preparation/references/input-json.mdsub-skills/input-preparation/scripts/validate_fold_input.py
“Run only the data pipeline on CPU”sub-skills/running-predictions/SKILL.mdsub-skills/running-predictions/scripts/build_run_command.py
“Debug missing HMMER/database/model paths”sub-skills/running-predictions/references/troubleshooting.mdsub-skills/running-predictions/scripts/check_runtime_requirements.py
“Explain ranking_scores.csv or ipTM/pLDDT/PAE”sub-skills/output-interpretation/SKILL.mdsub-skills/output-interpretation/scripts/summarize_outputs.py
“Use AlphaFold3 APIs in Python”sub-skills/python-apis/SKILL.mdsub-skills/python-apis/scripts/inspect_alphafold3_api.py
Show full SKILL.md (184 more words)Show less

Repository Facts

  • Distribution/import name: alphafold3.
  • Verified version for this skill baseline: 3.0.3.
  • Python requirement from package metadata: Python >=3.12.
  • Main runner: run_alphafold.py in source distributions or containers.
  • Console entry point: build_data, used to generate internal CCD pickle resources from packaged components.cif data when needed.
  • Package dependencies include JAX, Haiku, RDKit, Tokamax, NumPy, zstandard, and compiled pybind extensions.

Safety Boundaries

  • Do not download full genetic databases automatically; documented full database setup is hundreds of GB.
  • Do not assume model parameters are present or licensed; they must be obtained directly from Google DeepMind under the model parameter terms.
  • Do not run GPU inference as a smoke test unless the user requests it and supplies weights, databases or precomputed features, and output space.
  • Treat fetch_databases.sh, SSD mount/copy helpers, Docker build, and full run_alphafold.py runs as user-approved operational actions, not default validation.
  • Prefer command generation, import checks, JSON validation, and output-tree inspection for safe agent assistance.

References

  • Read references/capability-map.md for the coverage map and ownership boundaries.
  • Read references/troubleshooting.md for cross-cutting install/import/resource/runtime problems.
  • Read references/repo-provenance.md to decide whether this skill may be stale against a changed AlphaFold 3 checkout.

© VectorSpaceLab, Apache-2.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

SKILL.md and 6 other files (scripts, references) in skills/repositories/repo-skills/alphafold3 of VectorSpaceLab/AREX-Skill.

  • SKILL.md
  • references/capability-map.md
  • references/repo-provenance.md
  • references/repo-routing-metadata.json
  • references/troubleshooting.md
  • scripts/check_install.py
  • sub-skills

Open the folder on GitHubat commit ac3fe1a

Compare with similar skills

Alphafold3 next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Alphafold3 compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Alphafold3 this skillVectorSpaceLab/AREX-Skill330—~1.2kAutomated safety check: PassApache-2.0
Ggetdavila7/claude-code-templates32k10 repos~6.3kAutomated safety check: PassMIT
Chai1JimLiu/science-skills2274 repos~1.2kAutomated safety check: PassApache-2.0
Ggetaipoch/medical-research-skills2k—~816Automated safety check: PassMIT
Alphafold Database Fetch And Analyzegoogle-deepmind/science-skills3.2k2 repos~1.2kAutomated safety check: PassApache-2.0
Alphafoldadaptyvbio/protein-design-skills1643 repos~1.2kAutomated safety check: PassMIT

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Works with

Questions about Alphafold3

What does Alphafold3 do?

A skill your agent uses for AlphaFold 3 input preparation, prediction command planning, output interpretation, and Python API inspection. Alphafold3 is an agent skill from VectorSpaceLab/AREX-Skill. Use this skill for AlphaFold 3 input preparation, prediction command planning, output interpretation, and Python API inspection.

When should I use Alphafold3?

Alphafold3 fits situations like: alphaFold 3 input preparation; prediction command planning; output interpretation; Python API inspection.

How do I install Alphafold3 in Claude Code?

Run `npx skills add VectorSpaceLab/AREX-Skill --skill alphafold3 -a claude-code`. Or copy the skill folder (skills/repositories/repo-skills/alphafold3 in VectorSpaceLab/AREX-Skill) into .claude/skills/alphafold3 in your project. Claude Code loads it when a task matches its description.

How do I install Alphafold3 in Codex?

Run `npx skills add VectorSpaceLab/AREX-Skill --skill alphafold3 -a codex`. Or copy the skill folder (skills/repositories/repo-skills/alphafold3 in VectorSpaceLab/AREX-Skill) into .agents/skills/alphafold3 in your project. Codex loads it when a task matches its description.

Can I use Alphafold3 in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add VectorSpaceLab/AREX-Skill --skill alphafold3 -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/alphafold3, .gemini/skills/alphafold3, .github/skills/alphafold3 and .opencode/skills/alphafold3 in your project.

What does Alphafold3 need to run?

Going by SKILL.md and its folder, Alphafold3 needs Python for the scripts in its folder and the command-line tools its instructions call (python). Our summary lists: Python 3; Docker.

Does Alphafold3 access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Alphafold3 safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.

What licence does Alphafold3 use?

Alphafold3 is published under the Apache-2.0 licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Alphafold3 use?

About 1.2k tokens (SKILL.md is roughly 4.8k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 2.6k tokens, read only when the agent opens those files.

What are the alternatives to Alphafold3?

Skills that share tags, products or a category with Alphafold3: Gget (davila7/claude-code-templates, 32k stars), Chai1 (JimLiu/science-skills, 227 stars), Gget (aipoch/medical-research-skills, 2k stars) and Alphafold Database Fetch And Analyze (google-deepmind/science-skills, 3.2k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Alphafold3?

VectorSpaceLab (a GitHub organization) maintains it in VectorSpaceLab/AREX-Skill, which has 330 GitHub stars. The repository holds 159 skills in this directory. The repository was last updated on September 3, 2026.

Source: VectorSpaceLab/AREX-Skill on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.