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Installation

Goldilocks ML is currently installed directly from its GitHub repository.

Prerequisites

Install:

  • Git;
  • uv;
  • Python 3.12 or newer.

Install from GitHub

Clone the repository and create its locked environment:

git clone https://github.com/stfc/goldilocks-ml.git
cd goldilocks-ml
uv sync

uv sync installs Goldilocks ML and its required dependencies into a local .venv managed by uv.

Check it worked

uv run goldilocks-ml --help

You should see the two things this tool does: train and publish.

Training the real scientific models needs a larger set of libraries — PyTorch and pymatgen among them — which are not installed by default because they are slow to install and most people do not need them straight away:

uv sync --extra models

Continue with Train a model or Publish a model.