Metatrain

Latest version: v2025.4

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2025.4

Changed

- upgraded to `metatensor.torch` 0.7.4, which gives access to batched ASE evaluation

2025.3

Fixed

- Fixed a bug in the composition model, affecting SOAP-BPNN and nanoPET

Changed

- `metatrain.util.io.load_model` does not copy a remote model to the current
directory.

2025.2

This is the latest `metatrain` release 🚀 including the following changes.

Added

- Implement a long-range featurizer as a utility for all models
- Speed up system preparation

Changed

- Remove biases in SOAP-BPNN's linear layers

Fixed

- Fix NanoPET multi-GPU error message
- Fix ``device`` for fixed composition weights


**Full Changelog**: https://github.com/metatensor/metatrain/compare/v2025.1...v2025.2

2025.1

This is the latest metatrain release 🚀 including the following changes.

Added

- Support for Python 3.13 and ``ase`` >= 3.23 PicoCentauri in https://github.com/metatensor/metatrain/pull/497

Fixed

- Some irrelevant autograd warnings frostedoyster in https://github.com/metatensor/metatrain/pull/494

**Full Changelog**: https://github.com/metatensor/metatrain/compare/v2025.0...v2025.1

2025.0

This is the first release of `metatrain` 🚀🎉

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