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

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

Good fit Predicting protein–DNA, protein–RNA, protein–ligand, and other mixed complex structures. The results can support structure analysis and molecule-design work.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/aipoch/open-science/openfold3
About the project

Open Science is a local-first, model-agnostic workbench for reproducible scientific research. Scientists use its AI agents, Python and R execution, data connectors, and traceable outputs for tasks such as literature review, analysis, simulation, and visualization across macOS, Windows, and Linux.

aipoch/open-science · 5,301 stars · on GitHub · aipoch.com

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 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/github.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/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 openfold3

Your own site · 80×15
<a href="https://agentmods.dev/skills/aipoch/open-science/openfold3"><img src="https://agentmods.dev/badge/skills/aipoch/open-science/openfold3.svg" alt="Reviewed on agentmods" width="80" 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. 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: 8 findings, 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 Prompt Injection · line 187
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
  • medium Prompt Injection · line 124
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
  • medium Prompt Injection · line 180
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
  • medium Prompt Injection · line 183
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
  • medium Prompt Injection · line 184
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
  • medium Prompt Injection · line 185
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
  • medium Prompt Injection · line 186
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
  • medium Prompt Injection · line 188
    Large whitespace padding was detected (a block of blank lines or a long run of spaces). This can push injected instructions below or to the right of the visible area so a human reviewer never sees them while the agent still reads them. Manual review of the hidden content is recommended.
    Fix: Remove the large whitespace padding (blank-line blocks or long space runs) and review any content hidden below or to the right of it. Keep skill files compact and reviewable so no instructions can be
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 $0.00060 $0.02218
Opus 5.5 $0.00024 $0.00887
Sonnet 5.5 $0.00012 $0.00444
Haiku 4.5 $0.00006 $0.00222

Measured 1mo ago against content hash 5239e7c71cbd, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, 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 1mo 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. 1mo 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 (5,301 stars, last pushed today), licensed Apache-2.0. It adds 60 tokens to every session and 2,218 once invoked, about $0.0002 per session on Opus 5.5. 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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