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Issue when finetuning with less atom types than the model knows

Status: Open.

#740 In metatensor/metatrain;

· MarkusFas opened on Sep 2, 2025

[FEATURE] Do not require uncertainty to output ensemble

EnhancementIdea or improvementIdea or improvement

Status: Open.

#730 In metatensor/metatrain;

· frostedoyster opened on Aug 21, 2025

[FEATURE] Do not require validation set to be larger than the batch size

EnhancementIdea or improvementIdea or improvement

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

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

Status: Open.

#711 In metatensor/metatrain;

· frostedoyster opened on Aug 12, 2025

Replace short training regression tests with weekly and manual long training runs

DiscussionIssues to be discussed by the contributorsIssues to be discussed by the contributors

EnhancementIdea or improvementIdea or improvement

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

Status: Open.

#705 In metatensor/metatrain;

· PicoCentauri opened on Aug 7, 2025

[FEATURE] Write solid unit tests for CompositionModel

EnhancementIdea or improvementIdea or improvement

Status: Open.

#694 In metatensor/metatrain;

· jwa7 opened on Jul 28, 2025

[BUG] Inconsistent device error when running SOAP-BPNN on cuda for spherical targets

BugSomething isn't workingSomething isn't working

Status: Open.

#691 In metatensor/metatrain;

· jwa7 opened on Jul 24, 2025

PET regression tests fail when done one at a time

Status: Open.

#688 In metatensor/metatrain;

· ppegolo opened on Jul 23, 2025

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

[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