alphafold2

alphafold2 is a skill for Claude Code, Codex from PKU-YuanGroup/OpenAI4S. It costs 117 tokens per session (1,405 once invoked), scanned A, original, MIT.

A runner for predicting the three-dimensional shape of individual proteins or protein groups from their amino-acid sequences. It uses AlphaFold2 through ColabFold, a setup that queries a public sequence-search service instead of requiring a large local database.

In plain words
What is it for?
Use it to predict monomer or multi-protein structures from FASTA input and validate designed protein sequences. It does not cover ligands or nucleic acids.
Why use it?
It provides a way to test likely protein shapes without maintaining a very large local sequence database. It can also compare designed sequences with predicted structures.

Skill for Claude CodeCodex

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

Good fit Use it to predict monomer or multi-protein structures from FASTA input and validate designed protein sequences. It does not cover ligands or nucleic acids.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/pku-yuangroup/openai4s/alphafold2
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 PKU-YuanGroup/OpenAI4S --skill alphafold2
Clone the repo
git clone --depth 1 https://github.com/PKU-YuanGroup/OpenAI4S

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 alphafold2

README.md
[![agentmods](https://agentmods.dev/badge/skills/pku-yuangroup/openai4s/alphafold2/github.svg)](https://agentmods.dev/skills/pku-yuangroup/openai4s/alphafold2)
Your own site
<a href="https://agentmods.dev/skills/pku-yuangroup/openai4s/alphafold2"><img src="https://agentmods.dev/badge/skills/pku-yuangroup/openai4s/alphafold2/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 alphafold2

Your own site · 80×15
<a href="https://agentmods.dev/skills/pku-yuangroup/openai4s/alphafold2"><img src="https://agentmods.dev/badge/skills/pku-yuangroup/openai4s/alphafold2.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 117 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,405 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: 1 finding, 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 Excessive Agency · line 73
    Skill allows unbounded resource consumption (API calls, storage, compute). Without rate limits or quotas, a compromised or misbehaving agent can cause denial-of-service or cost overruns.
    Fix: Set explicit rate limits, timeouts, and resource quotas for API calls, file operations, and compute. Implement circuit breakers for runaway loops.
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 $0.00117 $0.01405
Opus 5 $0.00059 $0.00702
Sonnet 5 $0.00023 $0.00281
Haiku 4.5 $0.00012 $0.00140

Measured 9d ago against content hash 137f4859c1ae, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

alphafold2 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/alphafold2/SKILL.md · 105 lines

How it starts

The opening of the file, as written. The whole thing — 105 lines — stays where its author put it; the contents beside it link to each section on GitHub.

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

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 in the GPU sandbox — patch them out

colabfold/batch.py hard-sets TF_FORCE_UNIFIED_MEMORY=1 and XLA_PYTHON_CLIENT_MEM_FRACTION=4.0 on import. In the confined GPU 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.

Read the full file on GitHub · 105 lines

Files

What ships with it

2 files 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. 9d ago Changed · +4 lines 137f4859c1ae
  2. 12d ago First seen · 101 lines · 117 tokens per session scan A db6423588504

Subscribe to this mod's changes

alphafold2 is a skill published in the GitHub repository PKU-YuanGroup/OpenAI4S (407 stars, last pushed yesterday), licensed MIT. It adds 117 tokens to every session and 1,405 once invoked, about $0.0006 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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