openfold3

openfold3 is a skill for Claude Code, Codex from aipoch/open-science. It costs 60 tokens per session (2,218 once invoked), scanned A, original, Apache-2.0.

A tool for predicting the three-dimensional shape of protein, DNA, RNA, and small-molecule complexes from their sequences and structures. It uses OpenFold3, an open-source reimplementation of AlphaFold3.

In plain words
What is it for?
Predicting protein–DNA, protein–RNA, protein–ligand, and other mixed complex structures. The results can support structure analysis and molecule-design work.
Why use it?
It helps estimate how biological molecules may fit together before laboratory testing. Running it requires a compatible NVIDIA GPU and access to the model weights.

Skill for Claude CodeCodex

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.

agentmods
npx agentmods add skills/aipoch/open-science/openfold3
Any agent
npx skills add aipoch/open-science --skill openfold3
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 openfold3

README.md
[![agentmods](https://agentmods.dev/badge/skills/aipoch/open-science/openfold3.svg)](https://agentmods.dev/skills/aipoch/open-science/openfold3)
Your own site
<a href="https://agentmods.dev/skills/aipoch/open-science/openfold3"><img src="https://agentmods.dev/badge/skills/aipoch/open-science/openfold3.svg" alt="Measured on agentmods" height="20"></a>
Per session 60 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 2,218 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. Scan, not verified.
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 $0.00060 $0.02218
Opus 5 $0.00030 $0.01109
Sonnet 5 $0.00012 $0.00444
Haiku 4.5 $0.00006 $0.00222

Measured 4d ago against content hash 5239e7c71cbd, method: parsed. Prices are Anthropic first-party input rates as of 2026-08-30, from the pricing page.

Security

Grade A, and why

openfold3 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 4d 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

1 near-identical copy found in the catalogue:

  • openfold3 — 100% identical, 73 lines differ
resources/skills/openfold3/SKILL.md · 190 lines

How it starts

The opening of the file, as written. The whole thing — 190 lines — stays where its author put it; the contents beside it link to each section on GitHub.

OpenFold3 Structure Prediction

Prerequisites

Requirement Minimum Recommended
Python 3.10+ 3.11
CUDA 12.1+ 12.4+
GPU VRAM 24GB 80GB (H100)
RAM 32GB 64GB
Disk (weights) 3GB -

How to run

Installation

pip install 'openfold3[cuequivariance]==0.4.1'

The default attention kernel is DeepSpeed DS4Sci_EvoformerAttention. If DeepSpeed is unavailable, switch to the cuEquivariance triangle kernels (no build-from-source) by overriding the eval memory settings in model_config.py (use_deepspeed_evo_attention: False, use_cueq_triangle_kernels: True). Some pre-built environments already ship this override; check before re-patching.

Weights

Apache-2.0, ~2.3 GB from HF OpenFold/OpenFold3. The repo is gated (auto-approval) — accept the access form on the HF model page and authenticate (huggingface-cli login or HF_TOKEN) before downloading:

export OPENFOLD_CACHE=~/.openfold3
huggingface-cli download OpenFold/OpenFold3 checkpoints/of3-p2-155k.pt \
  --local-dir "$OPENFOLD_CACHE"

run_openfold will also auto-download to $OPENFOLD_CACHE on first run if egress is open and HF credentials are available (either HF_TOKEN or a prior huggingface-cli login) with repo access granted. The interactive setup_openfold helper exists but prompts on stdin; prefer the explicit download above for non-interactive runs.

Running

export OPENFOLD_CACHE=/path/to/cache
run_openfold predict \
  --query_json=queries.json \
  --output-dir out/ \
  --use-msa-server false \
  --use-templates false

run_openfold discovers the checkpoint under $OPENFOLD_CACHE automatically. Only pass --inference-ckpt-path <file.pt> if you have a non-standard layout or multiple checkpoints and need to pin one explicitly.

For MSA + templates (slower, higher accuracy), drop the two false flags. The MSA server is api.colabfold.com; template chain-ID remap hits data.rcsb.org (GraphQL) — both must be reachable.

Read the full file on GitHub · 190 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. 4d ago First seen · 190 lines · 60 tokens per session scan A 5239e7c71cbd

Subscribe to this mod's changes

openfold3 is a skill published in the GitHub repository aipoch/open-science (3,497 stars, last pushed 2d ago), licensed Apache-2.0. It adds 60 tokens to every session and 2,218 once invoked, about $0.0003 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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