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How to use Alphafold3: what you can do with it

What is Alphafold3? AlphaFold 3 is Google DeepMind's inference pipeline for predicting the structure of biomolecular complexes. You describe the complex in a JSON input file and run run_alphafold.py, usually inside the provided container, with separate flags for the CPU heavy data pipeline and the GPU inference step. Model parameters are not in the repo: you must request them from Google and follow their terms of use.

How do I use it? Follow the installation documentation in docs/installation.md and obtain the model parameters from Google; then write a fold_input.json with name, sequences, modelSeeds, dialect Alphafold3 and version 1, as in the README example. Full steps below.

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Quick start with Alphafold3

  1. Check you have what it needs: The model parameters, which you may only use if received directly from Google, under the weights terms of use; Docker and an NVIDIA GPU for the inference step; The genetic and template databases for the data pipeline, mounted into the container.
  2. Open google-deepmind/alphafold3 on GitHub and read the README and license.
  3. Follow the installation documentation in docs/installation.md and obtain the model parameters from Google
  4. Write a fold_input.json with name, sequences, modelSeeds, dialect Alphafold3 and version 1, as in the README example
  5. Run the docker command in the README with volumes for af_input, af_output, the model parameters and the public databases, calling python run_alphafold.py with --json_path, --model_dir and --output_dir
  6. Read docs/output.md to interpret the files you get back

These steps come from our top use case, Predict a biomolecular complex from a JSON input, which also has a copy-paste agent prompt.

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Requirements

  • The model parameters, which you may only use if received directly from Google, under the weights terms of use
  • Docker and an NVIDIA GPU for the inference step
  • The genetic and template databases for the data pipeline, mounted into the container
  • A fold_input.json describing your sequences, model seeds, dialect and version

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Questions about Alphafold3

What is Alphafold3?

AlphaFold 3 is Google DeepMind's inference pipeline for predicting the structure of biomolecular complexes. You describe the complex in a JSON input file and run run_alphafold.py, usually inside the provided container, with separate flags for the CPU heavy data pipeline and the GPU inference step. Model parameters are not in the repo: you must request them from Google and follow their terms of use. It is an open-source project on GitHub: https://github.com/google-deepmind/alphafold3.

How do I use Alphafold3?

Follow the installation documentation in docs/installation.md and obtain the model parameters from Google; then write a fold_input.json with name, sequences, modelSeeds, dialect Alphafold3 and version 1, as in the README example. The use cases on this page give the full steps and a copy-paste agent prompt for each job.

Who is Alphafold3 for?

Structural biology groups with GPU access who want to run AlphaFold 3 predictions themselves.

What can I do with Alphafold3?

3 use cases so far, for example: Predict a biomolecular complex from a JSON input; Run the CPU search and the GPU fold on different machines; Pick the right AlphaFold 3 weights for your project. Each has steps and a copy-paste agent prompt.

What do I need to run Alphafold3?

The model parameters, which you may only use if received directly from Google, under the weights terms of use; Docker and an NVIDIA GPU for the inference step; The genetic and template databases for the data pipeline, mounted into the container; A fold_input.json describing your sequences, model seeds, dialect and version.

What are alternatives to Alphafold3?

Other hot AI repos in Security and science: Security Audit Skill, GPU Unlock, Syft, Esm, Osv Scanner.

Is Alphafold3 safe to run?

Deduped does not own, audit or vouch for it. Read the README and license, run it on your own systems first and review every command before you run it.