v2025.9

We’re excited to announce a brand-new release of metatrain! 🎉
This update brings fresh features, important fixes, and usability improvements.

Highlights in this release

🗂️ Checkpoint versioning — keeps your training checkpoints more stable when architectures evolve.
📊 Improved logging — clearer, more detailed training logs to better track progress.
🧩 General target training — beyond energies and forces, paving the way for exciting new applications coming soon.

Added

• Use the best model instead of the latest model for evaluation at the end of training.
• Log the best epoch when loading checkpoints.
• Allow changing the scheduler factor in PET.
• Introduce checkpoint versioning and updating.
• Added CI tests on GPU.
• Log the number of model parameters before training starts.
• Add additional logs to the checkpoints, model, and output directories at the end of
  training.
• Cache files locally and re-use them when downloading checkpoints and models from
  Hugging Face.
• extra_data is now a valid section in the options.yaml file, allowing users to
  add custom data to the training set. The data is included in the dataloader and can be
  used in custom loss functions or models.
• mtt eval can now evaluate models on a DiskDataset.

Changed

• Updated to a new general composition model.
• Updated to a new implementation of LLPR.

Fixed

• Fixed device and dtype not being set during LoRA fine-tuning in PET.
• Log messages are now shown when training with restart="auto".
• Fixed incorrect sub-section naming in the Wandb logger.

New Contributors

• @sofiia-chorna made their first contribution in #624
• @RMeli made their first contribution in #677
• @pfebrer made their first contribution in #681

Full Changelog: v2025.8.1...v2025.9