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GETTING STARTED

AlphaFold3 Mac Port overview

Run AlphaFold 3 on Apple Silicon with an MLX-native inference stack while keeping AF3-compatible data pipeline behavior.

Get started in 10 minutes

Prerequisites:

  • Apple Silicon Mac (M2/M3/M4 recommended)
  • Python 3.12 environment
  • AF3 model weights in weights/model/af3.bin.zst

Install and run:

bash source .venv/bin/activate PYTHONPATH=src python3 run_alphafold_mlx.py \ --input examples/desi1_monomer.json \ --output_dir output/quickstart \ --num_samples 1 \ --diffusion_steps 20 \ --verbose

Info

Continue with Quickstart for the full walkthrough and expected outputs.

Warning

AlphaFold 3 weights are required for real inference and are subject to usage terms. Review the weights terms before running production workloads.

Where to go next

Project context

This repository is a macOS-focused port of AlphaFold 3 inference using MLX while preserving AF3 data and output contracts.

For the upstream project and legal terms, see AlphaFold 3 upstream.