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Issues: lab-cosmo/equisolve

19 Open 4 Closed
19 Open 4 Closed
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Issues list

Example using ModuleTensorMap
#65 opened Sep 22, 2023 by agoscinski
@bananenpampe
torch.Tensor support for methods in numpy submodule
#63 opened Sep 15, 2023 by agoscinski
Readthedocs preview action throws RequestError[HttpError] when executed from a fork
#58 opened Jul 20, 2023 by agoscinski
Equistore compatible Dataset and Dataloader
#56 opened Jul 18, 2023 by agoscinski
Option for naming the property in properties_to_tensormap
#54 opened Jul 17, 2023 by agoscinski
@bananenpampe
How will we interface with different molecular dynamics (MD) codes? software design Discusses the design route to implement functionalities
#42 opened Mar 16, 2023 by agoscinski
5
OpenKIM integration - One interface for all MD codes
#40 opened Mar 13, 2023 by agoscinski
Remove parameter_keys from Ridge and create utility that allows easy removal of gradients or values
#38 opened Mar 9, 2023 by agoscinski
Solver give very different weights for n_samples < n_features
#37 opened Mar 9, 2023 by agoscinski
@agoscinski @kvhuguenin
Change ridge's cholesky solver from scipy.linalg.solve(assume_a='pos') to scipy.linalg.cholesky
#36 opened Mar 8, 2023 by agoscinski Full TorchScript support
TorchScript compatibility equisolve side
#34 opened Mar 6, 2023 by agoscinski
6 tasks
Restructure ridge test for different dataset cases documentation Improvements or additions to documentation
#33 opened Mar 6, 2023 by agoscinski
Should ASE be a core dependency?
#29 opened Mar 3, 2023 by jwa7
2
Utility function for adding regularizer to TensorMaps
#28 opened Mar 3, 2023 by agoscinski
How-to guide for finding the optimal alpha in a Ridge regression documentation Improvements or additions to documentation good first issue Good for newcomers help wanted Extra attention is needed
#27 opened Mar 2, 2023 by PicoCentauri
Rewrite StandardScaler in terms of equistore operations
#18 opened Feb 23, 2023 by Luthaf
3
Add full and sparse Kernel classes enhancement New feature or request help wanted Extra attention is needed
#14 opened Feb 22, 2023 by PicoCentauri
@DavideTisi
Add a Neural-Network class enhancement New feature or request help wanted Extra attention is needed
#13 opened Feb 22, 2023 by PicoCentauri
9
Add support in Ridge for a model with different weights per central-species
#6 opened Jan 25, 2023 by agoscinski
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