Agent skill

Alphafold2

by JimLiu in JimLiu/science-skills

Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al.

Apache-2.0Auto-check passedResearch & Science

Install Alphafold2

skills CLI
$ npx skills add JimLiu/science-skills --skill alphafold2 -a claude-code

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

GitHub CLI
$ gh skill install JimLiu/science-skills alphafold2 --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/JimLiu/science-skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/alphafold2 .claude/skills/alphafold2 && 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
alphafold2
GitHub stars
227
Used in
4 other repos
Token cost
~1.2k tokens
SKILL.md length
486 words
Files
1
Skills in repo
27
Repo updated
First seen
Licence
Apache-2.0

At a glance

Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al.

  • Tasks that involve Protein structure and design
  • SKILL.md covers Running it, Unified-memory defaults loop…, The MSA server is the… and Errors worth recognizing
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Alphafold2 is an agent skill from JimLiu/science-skills. Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al. 2022, github.com/sokrypton/ColabFold; AlphaFold2 Jumper et al. 2021). Reach for this skill to fold a sequence or complex with the AF2/AF2-Multimer evoformer, to validate designed sequences by self-consistency pLDDT, ipTM, and RMSD, or to run a quick MSA-backed prediction using the public MMseqs2 server.

Its SKILL.md is about 1.2k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

It sits in Research & Science, covering Protein structure and design. It works with GitHub. The licence is Apache-2.0.

When your agent uses it

  • Tasks that involve Protein structure and design

Example prompts

  • “/alphafold2”

What it can do on your machine

Read from SKILL.md and the folder at commit fb309c3. 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

    No scripts in the folder and no shell commands in SKILL.md (its code samples are bash).

    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

Alphafold2 loads about 1.2k tokens when it runs. Until then it costs about 106 tokens; SKILL.md has 486 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~106
When it runs · the whole SKILL.md, loaded when a task matches
~1.2k

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); files beside SKILL.md are not scanned.

SKILL.md

The full file from JimLiu/science-skills at commit fb309c3, republished under its Apache-2.0 licence (© JimLiu). 486 words, ~1,235 tokens.

Download SKILL.mdSave it as .claude/skills/alphafold2/SKILL.md (or your agent's skills folder).
name
alphafold2
description
Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al. 2022, github.com/sokrypton/ColabFold; AlphaFold2 Jumper et al. 2021). Reach for this skill to fold a sequence or complex with the AF2/AF2-Multimer evoformer, to validate designed sequences by self-consistency pLDDT, ipTM, and RMSD, or to run a quick MSA-backed prediction using the public MMseqs2 server.
license
Apache-2.0
category
biomodels
requirements
gpu
metadata.display-name
AlphaFold2

AlphaFold2 (ColabFold runner)

This skill wraps AlphaFold2 and AlphaFold2-Multimer through colabfold_batch, which replaces DeepMind's local-database MSA pipeline with a call to the public MMseqs2 server — so a prediction is one command and one FASTA, not a 2 TB database mount. AF2 remains the reference monomer predictor and the multimer model is still a strong protein–protein validator, but it does not handle ligands or nucleic acids; for those, route to boltz, chai1, or openfold3. The ColabFold code is MIT (github.com/sokrypton/ColabFold) and the AlphaFold2 code is Apache-2.0 (github.com/google-deepmind/alphafold); the AF2 model parameters are CC-BY-4.0 with DeepMind's terms of use.

Running it

bash
colabfold_batch input.fasta out \
  --num-recycle 3 \
  --model-type alphafold2_multimer_v3

The input is a plain FASTA. For a complex, put every chain on one sequence line separated by : — colabfold_batch builds a paired MSA per segment and runs the multimer model when it sees the colon (so the explicit --model-type alphafold2_multimer_v3 above is belt-and-braces). For monomers omit --model-type and the colon. --templates and --amber add PDB templates and OpenMM relaxation respectively; both are off by default and both add minutes per model.

ColabFold runs all five AF2 model weights by default and ranks them by pLDDT (pTM/ipTM for multimer), so output per query lands in out/ as five ranked PDBs <name>_unrelaxed_rank_00{1..5}_*.pdb (b-factor column carries pLDDT) and a matching <name>_scores_rank_00{N}_*.json with plddt, ptm, and — for multimer — iptm and the pae matrix. Rank-1 is the model to read first; ipTM > 0.5 is the usual soft pass for an interface.

Unified-memory defaults loop forever under gVisor — the env patches them out

colabfold/batch.py hard-sets TF_FORCE_UNIFIED_MEMORY=1 and XLA_PYTHON_CLIENT_MEM_FRACTION=4.0 on import. Under a gVisor sandbox unified memory is unsupported, so JAX's device_put loops indefinitely allocating host RAM during AF2 parameter load — the job appears hung, never errors. Override both before the import (TF_FORCE_UNIFIED_MEMORY=0, fraction 0.95), or sed-patch the two assignments out of batch.py in the image build, or the first fold never starts.

Show full SKILL.md (181 more words)Show less

The MSA server is the wall-clock bottleneck, and it is shared

colabfold_batch defaults to --msa-mode mmseqs2_uniref_env, which posts your sequence to api.colabfold.com. That server is a public, rate-limited resource: the wait dominates short folds and occasionally times out under load. For campaigns, run the MSA stage once with --msa-only, keep the resulting .a3m files, and feed the directory back as the input on subsequent runs — the GPU stage then starts immediately and the server is not hit again.

Errors worth recognizing

You seeIt means / do this
Job hangs silently during "Running model_1" with host RAM climbingUnified-memory loop under gVisor — see the gotcha above; override or patch batch.py.
RESOURCE_EXHAUSTED / OOM during XLA compileXLA_PYTHON_CLIENT_MEM_FRACTION too high for the GPU — drop below the 0.95 default to 0.9 or so.
MSA stage hangs at Submitting jobPublic MMseqs2 server is rate-limiting — wait, or pre-compute with --msa-only and re-run from the cached .a3m.

Next: for designed-sequence validation, superpose the rank-1 model onto the design backbone with US-align and gate on pLDDT/ipTM thresholds; for ligand-bearing complexes, hand the same chains to boltz or chai1.

© JimLiu, 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

Just SKILL.md in skills/alphafold2 of JimLiu/science-skills.

Open the folder on GitHubat commit fb309c3

Used in 4 other repositories

We found 4 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 4 other GitHub owners. This page covers the copy in JimLiu/science-skills, which our catalogue first saw on October 7, 2026.

Compare with similar skills

Alphafold2 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.

Alphafold2 compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Alphafold2 this skillJimLiu/science-skills2274 repos~1.2kAutomated safety check: PassApache-2.0
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Alphafold Database Fetch And Analyzegoogle-deepmind/science-skills3.2k2 repos~1.2kAutomated safety check: PassApache-2.0
Alphafoldadaptyvbio/protein-design-skills1634 repos~1.2kAutomated safety check: PassMIT
Rival Search MCPdamionrashford/RivalSearchMCP1321 repos~796Automated safety check: PassMIT
Bindcraftadaptyvbio/protein-design-skills1634 repos~1.3kAutomated safety check: PassMIT

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Works with

Questions about Alphafold2

What does Alphafold2 do?

Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al. Alphafold2 is an agent skill from JimLiu/science-skills. Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al.

When should I use Alphafold2?

Alphafold2 fits situations like: tasks that involve Protein structure and design.

How do I install Alphafold2 in Claude Code?

Run `npx skills add JimLiu/science-skills --skill alphafold2 -a claude-code`. Or copy the skill folder (skills/alphafold2 in JimLiu/science-skills) into .claude/skills/alphafold2 in your project. Claude Code loads it when a task matches its description.

How do I install Alphafold2 in Codex?

Run `npx skills add JimLiu/science-skills --skill alphafold2 -a codex`. Or copy the skill folder (skills/alphafold2 in JimLiu/science-skills) into .agents/skills/alphafold2 in your project. Codex loads it when a task matches its description.

Can I use Alphafold2 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 JimLiu/science-skills --skill alphafold2 -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/alphafold2, .gemini/skills/alphafold2, .github/skills/alphafold2 and .opencode/skills/alphafold2 in your project.

What does Alphafold2 need to run?

SKILL.md names no scripts, command-line tools or credentials: Alphafold2 is instructions for the agent only.

Does Alphafold2 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 Alphafold2 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. Review the folder before installing.

What licence does Alphafold2 use?

Alphafold2 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 Alphafold2 use?

About 1.2k tokens (SKILL.md is roughly 4.9k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Alphafold2?

Skills that share tags, products or a category with Alphafold2: GitHub Deep Research (bytedance/deer-flow, 83k stars), Alphafold Database Fetch And Analyze (google-deepmind/science-skills, 3.2k stars), Alphafold (adaptyvbio/protein-design-skills, 163 stars) and Rival Search MCP (damionrashford/RivalSearchMCP, 132 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Alphafold2?

JimLiu (a GitHub user) maintains it in JimLiu/science-skills, which has 227 GitHub stars. The repository holds 27 skills in this directory. The repository was last updated on July 1, 2026.

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