alphafold3

Predict joint biomolecular structures for proteins, DNA/RNA, ligands, and ions.

Updated Aug 23, 2026
One-click install
npx skills add https://github.com/yjcyxky/biominer-skills --skill alphafold3
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: alphafold3
Source: https://github.com/yjcyxky/biominer-skills/tree/main/alphafold3
Command: npx skills add https://github.com/yjcyxky/biominer-skills --skill alphafold3

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

This Skill enables automated joint prediction of biomolecular structures for proteins, DNA/RNA, ligands, ions, and their complexes, reducing manual modeling time and enabling rapid hypothesis testing in structural biology.

Core Features & Use Cases

  • Diffusion-based, high-accuracy structure prediction for biomolecular assemblies including protein complexes, protein-DNA/RNA complexes, and protein-ligand interactions.
  • Supports multiple entity types (protein, DNA, RNA, ligand, ion) and complex formation scenarios for research and discovery workflows.
  • Useful in drug discovery, protein engineering, and mechanistic studies of biomolecular interactions.

Quick Start

Run AlphaFold3 in a GPU-enabled Docker environment using the official image, mounting model directories, genetic databases, and input/output folders. Example: docker run --rm --gpus all
-v /path/to/models:/root/models
-v /path/to/databases:/root/public_databases
-v $(pwd)/input:/root/af_input
-v $(pwd)/output:/root/af_output
ghcr.io/open-prophetdb/alphafold3:arm64-blackwell
python run_alphafold.py --json_path=/root/af_input/fold_input.json --model_dir=/root/models --output_dir=/root/af_output

Frequently Asked Questions about alphafold3

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I predict protein-ligand complex structures using AlphaFold3?

You can predict protein-DNA/RNA complex structures by defining multiple entity types within a single formatted input JSON file, allowing AlphaFold3 to jointly model the multi-component assembly and their interactions in one run.

Do I need licensed model parameters to run biomolecular structure predictions?

Yes, you must obtain licensed AlphaFold3 model parameters from Google and download genetic databases for MSA searches before running joint biomolecular structure predictions in the Docker environment.

Can I use AlphaFold3 for drug discovery and protein engineering interaction studies?

Yes, AlphaFold3 supports drug discovery and protein engineering workflows by providing diffusion-based, high-accuracy structure prediction for biomolecular assemblies including protein-ligand interactions and complex formations.

What are the Docker environment requirements for running AlphaFold3 structure predictions?

Running AlphaFold3 requires a Docker-enabled GPU environment, licensed model parameters, genetic databases for MSA searches, and correctly formatted input JSON files to execute the automated structure prediction workflows.

How does AlphaFold3 handle joint prediction of multi-component biomolecular assemblies?

AlphaFold3 handles joint prediction of multi-component assemblies by using diffusion-based modeling to simultaneously predict structures for proteins, DNA/RNA, ligands, and ions defined in the input JSON, reducing manual modeling time.