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Issues list

Meta Issue: metatensor atomsitic models integration with simulation engines Atomistic-Models Related to the atomistic model code
#648 opened Jun 10, 2024 by Luthaf
2 of 11 tasks
1
Default argument for cell in metatensor.torch.atomistic.System?
#646 opened Jun 7, 2024 by frostedoyster
1
Combining extensions with the model Atomistic-Models Related to the atomistic model code
#638 opened May 28, 2024 by ceriottm
3
Rephrase the wording _wrap_ into _export_ for an MetatensorAtomisticModel documentation Improvements or additions to documentation good first issue Good for newcomers
#631 opened May 24, 2024 by PicoCentauri
Warn when creating/exporting a MetatensorAtomisticModel without units Atomistic-Models Related to the atomistic model code documentation Improvements or additions to documentation
#630 opened May 24, 2024 by PicoCentauri
Add split_by operation to split according to one of the Labels dimension Operations Related to metatensor-operations in Python
#627 opened May 22, 2024 by Luthaf
1
mts.torch.insert_dimension error for Labels of zero length Operations Related to metatensor-operations in Python
#600 opened May 2, 2024 by jwa7
allclose_raise gives ambiguous error message for keys in different order Operations Related to metatensor-operations in Python
#594 opened Apr 29, 2024 by sirmarcel
Consider re-implementing a from_weights class method for linear algebra models in metatensor-learn Learn Related to metatensor-learn in Python
#585 opened Apr 15, 2024 by jwa7
Fix the documentation preview
#576 opened Apr 10, 2024 by PicoCentauri
Add LabelsDict helper class Learn Related to metatensor-learn in Python
#568 opened Apr 3, 2024 by Luthaf
1
Allow for covariant normalization in metatensor.learn.nn.EquiLayerNorm Learn Related to metatensor-learn in Python
#567 opened Apr 3, 2024 by jwa7
Create a EquiModuleMap as the parent for Equi{...} metatensor-learn.nn modules Learn Related to metatensor-learn in Python
#566 opened Apr 3, 2024 by jwa7
Port equisolve's sample/feature selection to metatensor-learn Learn Related to metatensor-learn in Python
#558 opened Mar 26, 2024 by jwa7
1
@jwa7
save does not support pathlib objects bug Something isn't working good first issue Good for newcomers Python-API Related to the Python bindings to "core"
#548 opened Mar 12, 2024 by PicoCentauri
Document how data is stored and passed around in the developer docs core Related to the core implementation, in Rust documentation Improvements or additions to documentation
#546 opened Mar 11, 2024 by Luthaf
rename_dimension does not support axis="components" good first issue Good for newcomers Operations Related to metatensor-operations in Python
#520 opened Feb 16, 2024 by Luthaf
2
Example model & set of structures to check atomistic engines neighbors list implementation. Atomistic-Models Related to the atomistic model code
#517 opened Feb 16, 2024 by Luthaf
Add a link checker for documentation documentation Improvements or additions to documentation
#492 opened Feb 6, 2024 by PicoCentauri
1
When loading tensor map that requires use_numpy=True the error message is unclear core Related to the core implementation, in Rust
#469 opened Feb 1, 2024 by agoscinski
1
metatensor.abs test is flaky on Intel macOS bug Something isn't working Operations Related to metatensor-operations in Python
#460 opened Jan 25, 2024 by Luthaf
metatensor-operation utilities to simplify creation of tensor maps similar to the *_like for tests and playing around Operations Related to metatensor-operations in Python
#451 opened Jan 19, 2024 by agoscinski
3
metatensor-learn: next steps Learn Related to metatensor-learn in Python
#446 opened Jan 11, 2024 by jwa7
2 of 3 tasks
@agoscinski @jwa7 @abmazitov
4
Atomistic models follow-up Atomistic-Models Related to the atomistic model code
#430 opened Dec 12, 2023 by Luthaf
3 tasks done
Paper
3
The path to Julia Julia-API Related to the Julia bindings to "core"
#421 opened Nov 21, 2023 by Luthaf
10 tasks
@SanggyuChong
ProTip! Updated in the last three days: updated:>2024-06-08.