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Add tests for metatensor reader when gradients are present

EnhancementIdea or improvementIdea or improvement

Infrastructure: DataRelated to data handling like readers and datasetsRelated to data handling like readers and datasets

Status: Open.

#671 In metatensor/metatrain;

· ppegolo opened on Jul 14, 2025

Ensemble Energies with PET-MAD

BugSomething isn't workingSomething isn't working

PETPET architecturePET architecture

Status: Open.

#667 In metatensor/metatrain;

· johannes-spies opened on Jul 11, 2025

[FEATURE] Turn LLPR into a proper architecture

EnhancementIdea or improvementIdea or improvement

Status: Open.

#663 In metatensor/metatrain;

· Luthaf opened on Jul 10, 2025

Provide general function for making converting between naming conventions

Status: Open.

#661 In metatensor/metatrain;

· PicoCentauri opened on Jul 10, 2025

[BUG] <code>BadZipFile</code> error when using a DiskDataset

BugSomething isn't workingSomething isn't working

Status: Open.

#655 In metatensor/metatrain;

· jwa7 opened on Jul 8, 2025

[FEATURE] Make units case-insensitive

EnhancementIdea or improvementIdea or improvement

Priority: LowNon-urgent issues to handle last.Non-urgent issues to handle last.

Status: Open.

#653 In metatensor/metatrain;

· frostedoyster opened on Jul 8, 2025

[FEATURE] Some wandb log improvements

EnhancementIdea or improvementIdea or improvement

Infrastructure: LoggingRelated to loggingRelated to logging

Priority: LowNon-urgent issues to handle last.Non-urgent issues to handle last.

Status: Open.

#652 In metatensor/metatrain;

· tulga-rdn opened on Jul 7, 2025

Consider <code>pydantic</code> for user input validation instead of json-schema

Infrastructure: CLIRelated to the command line interfaceRelated to the command line interface

Priority: MediumImportant issues to address after high priority.Important issues to address after high priority.

Status: Open.

#651 In metatensor/metatrain;

· HaoZeke opened on Jul 7, 2025

[BUG] Missing sample selection for last-layer features

BugSomething isn't workingSomething isn't working

Status: Open.

#647 In metatensor/metatrain;

· frostedoyster opened on Jul 6, 2025

[BUG] mtt eval fails for small datasets

BugSomething isn't workingSomething isn't working

PETPET architecturePET architecture

Status: Open.

#645 In metatensor/metatrain;

· tsthakur opened on Jul 3, 2025

[FEATURE] Write clearly what model is taken for export

EnhancementIdea or improvementIdea or improvement

Priority: MediumImportant issues to address after high priority.Important issues to address after high priority.

Status: Open.

#643 In metatensor/metatrain;

· PicoCentauri opened on Jul 1, 2025

[FEATURE] Pick different head to be used as <code>energy</code> output

EnhancementIdea or improvementIdea or improvement

Priority: HighCritical issues needing immediate attention.Critical issues needing immediate attention.

Priority: MediumImportant issues to address after high priority.Important issues to address after high priority.

Status: Open.

#642 In metatensor/metatrain;

· MarkusFas opened on Jul 1, 2025