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70 Open 134 Closed
70 Open 134 Closed
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Issues list

Add an example input to run some basic simulation with i-PI Atomistic-Models Related to the atomistic model code documentation Improvements or additions to documentation
#731 opened Sep 5, 2024 by Luthaf
Add a Transition guide: metatensor for numpy/torch users documentation Improvements or additions to documentation
#727 opened Sep 3, 2024 by PicoCentauri
Allow MetatensorCalculator.run_model to take a list of ase.Atoms as an argument Atomistic-Models Related to the atomistic model code
#715 opened Aug 13, 2024 by sofiia-chorna
Inconsistent types for class metatensor.torch.atomistic.System Atomistic-Models Related to the atomistic model code
#714 opened Aug 12, 2024 by E-Rum
1
Join along keys? Operations Related to metatensor-operations in Python
#711 opened Aug 6, 2024 by frostedoyster
1
Why is there no difference operation for Labels core Related to the core implementation, in Rust
#710 opened Aug 2, 2024 by PicoCentauri
@PicoCentauri
4
Add methods for manipulating neighborlists Atomistic-Models Related to the atomistic model code
#707 opened Aug 1, 2024 by PicoCentauri
2
Benchmark and document performance difference between learn.nn convenience layers and manual block-by-block construction of ModuleMap documentation Improvements or additions to documentation Learn Related to metatensor-learn in Python
#699 opened Jul 25, 2024 by jwa7
Check if model is metatensor atomistic model? Atomistic-Models Related to the atomistic model code
#697 opened Jul 22, 2024 by frostedoyster
2
Unclear error in join bug Something isn't working Operations Related to metatensor-operations in Python
#694 opened Jul 18, 2024 by frostedoyster
2
Usage of metatensor.torch.learn.nn.Sequential Learn Related to metatensor-learn in Python
#693 opened Jul 17, 2024 by sovietdevil
1
Allow to specify labels names in block_from_array good first issue Good for newcomers Operations Related to metatensor-operations in Python
#685 opened Jul 11, 2024 by Luthaf
1
Allow models to request additional input data from the engine Atomistic-Models Related to the atomistic model code
#682 opened Jul 9, 2024 by bananenpampe
7
Better API to execute arbitrary models with arbitrary outputs Atomistic-Models Related to the atomistic model code
#681 opened Jul 8, 2024 by Luthaf
2
Unclear usage of the metatensor.learn.nn.linear layer class documentation Improvements or additions to documentation Learn Related to metatensor-learn in Python Torch-API Related to the (Py)Torch interface
#677 opened Jul 5, 2024 by sovietdevil
1
Sorting an empty TensorBlock good first issue Good for newcomers Operations Related to metatensor-operations in Python Python-API Related to the Python bindings to "core"
#652 opened Jun 14, 2024 by PicoCentauri
1
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
ProTip! What’s not been updated in a month: updated:<2024-08-12.