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Rewrite sym ops as padded tensors

Status: Open.

#159 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Jun 24, 2026

Replace manual_seed ops inside functions, dataloaders, with torch Generators

Status: Open.

#156 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Apr 15, 2025

Content-docs

Status: Open.

#141 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Jan 17, 2025

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Publication v1.0 Ready

Remove unused methods from modeller.py

Status: Open.

#138 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Jan 17, 2025

Unit tests for torch modules & models

Status: Open.

#137 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Jan 17, 2025

·  

Publication v1.0 Ready

Several autoencoder analysis functions could be sped up by storing the input/decoding radial graph rather than recomputing it over and over again.

Status: Open.

#133 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Oct 20, 2024

Correlate RMSD to reconstruction loss in autoencoder evaluation

Status: Open.

#131 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Oct 3, 2024

Option for automated generation & loading of experiment-specific datasets, where memory permits.

Status: Open.

#129 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Jun 10, 2024

Prebatched dataset saving for particular tests

Status: Open.

#125 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on May 5, 2024

Test user workflows

Status: Open.

#118 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Apr 22, 2024

·  

Publication v1.0 Ready

Train, test evaluation, and upload benchmark models

Status: Open.

#116 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Apr 22, 2024

·  

Publication v1.0 Ready

Equivariant hierarchical graph-of-graphs replacement for current crystal graph model.

Status: Open.

#76 In InfluenceFunctional/MXtalTools;

· InfluenceFunctional opened on Nov 6, 2023