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Example using ModuleTensorMap

Status: Open.

#65 In lab-cosmo/equisolve;

· agoscinski opened on Sep 22, 2023

torch.Tensor support for methods in numpy submodule

Status: Open.

#63 In lab-cosmo/equisolve;

· agoscinski opened on Sep 15, 2023

Readthedocs preview action throws RequestError[HttpError] when executed from a fork

Status: Open.

#58 In lab-cosmo/equisolve;

· agoscinski opened on Jul 20, 2023

Equistore compatible Dataset and Dataloader

Status: Open.

#56 In lab-cosmo/equisolve;

· agoscinski opened on Jul 18, 2023

Option for naming the property in properties_to_tensormap

Status: Open.

#54 In lab-cosmo/equisolve;

· agoscinski opened on Jul 17, 2023

How will we interface with different molecular dynamics (MD) codes?

software designDiscusses the design route to implement functionalitiesDiscusses the design route to implement functionalities

Status: Open.

#42 In lab-cosmo/equisolve;

· agoscinski opened on Mar 16, 2023

OpenKIM integration - One interface for all MD codes

Status: Open.

#40 In lab-cosmo/equisolve;

· agoscinski opened on Mar 13, 2023

Remove parameter_keys from Ridge and create utility that allows easy removal of gradients or values

Status: Open.

#38 In lab-cosmo/equisolve;

· agoscinski opened on Mar 9, 2023

Solver give very different weights for n_samples < n_features

Status: Open.

#37 In lab-cosmo/equisolve;

· agoscinski opened on Mar 9, 2023

Change ridge's cholesky solver from scipy.linalg.solve(assume_a='pos') to scipy.linalg.cholesky

Status: Open.

#36 In lab-cosmo/equisolve;

· agoscinski opened on Mar 8, 2023

·  

Full TorchScript support

TorchScript compatibility equisolve side

Status: Open.

#34 In lab-cosmo/equisolve;

· agoscinski opened on Mar 6, 2023

Restructure ridge test for different dataset cases

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#33 In lab-cosmo/equisolve;

· agoscinski opened on Mar 6, 2023