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[Bug]: New dynamic <code>BatchSchema</code> causes serialization issues

bugSomething isn't workingSomething isn't working

Status: Open.

#343 In IntelLabs/matsciml;

· laserkelvin opened on Feb 11, 2025

[Bug]: <code>max_neighbors</code> argument in <code>PeriodicPropertiesTransform</code> is unused

bugSomething isn't workingSomething isn't working

Status: Open.

#336 In IntelLabs/matsciml;

· laserkelvin opened on Dec 20, 2024

[Bug]: PyG implementation of <code>EGNN</code> fails with newer versions of PyG

bugSomething isn't workingSomething isn't working

Status: Open.

#311 In IntelLabs/matsciml;

· laserkelvin opened on Oct 28, 2024

[Bug]: <code>FAENet</code> uses a different periodic boundary condition implementation

bugSomething isn't workingSomething isn't working

Status: Open.

#309 In IntelLabs/matsciml;

· laserkelvin opened on Oct 21, 2024

[Feature request]: Missing documentation pages

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#280 In IntelLabs/matsciml;

· laserkelvin opened on Aug 24, 2024

[Bug]: <code>MaterialsTrajectoryDataset</code> has no devset

bugSomething isn't workingSomething isn't working

Status: Open.

#268 In IntelLabs/matsciml;

· laserkelvin opened on Aug 6, 2024

[Feature request]: Refactor <code>MaterialsProjectDataset</code> to not serialize <code>pymatgen</code> <code>Structures</code> in LMDB

code maintenanceIssue/PR for refactors, code clean up, etc.Issue/PR for refactors, code clean up, etc.

dataIssues related to data loading, pipelining, etc.Issues related to data loading, pipelining, etc.

enhancementNew feature or requestNew feature or request

Status: Open.

#267 In IntelLabs/matsciml;

· laserkelvin opened on Aug 6, 2024

[Feature request]: Improve interfacing between encoders and output heads

code maintenanceIssue/PR for refactors, code clean up, etc.Issue/PR for refactors, code clean up, etc.

enhancementNew feature or requestNew feature or request

uxUser experience, quality of life changesUser experience, quality of life changes

Status: Open.

#265 In IntelLabs/matsciml;

· laserkelvin opened on Jul 30, 2024

[Feature request]: Allow weights transfer and/or restarting from earlier checkpoint with experiment CLI

enhancementNew feature or requestNew feature or request

trainingIssues related to model trainingIssues related to model training

uxUser experience, quality of life changesUser experience, quality of life changes

Status: Open.

#263 In IntelLabs/matsciml;

· laserkelvin opened on Jul 29, 2024

[Feature request]: Refactor atomic data into joint module

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

uxUser experience, quality of life changesUser experience, quality of life changes

Status: Open.

#253 In IntelLabs/matsciml;

· laserkelvin opened on Jul 15, 2024

[Feature request]: Improve functionality of <code>GradientCheckCallback</code> by recording skipped samples

enhancementNew feature or requestNew feature or request

Status: Open.

#231 In IntelLabs/matsciml;

· laserkelvin opened on Jun 3, 2024

[Feature request]: MultiTaskLitModule Refactor

enhancementNew feature or requestNew feature or request

Status: Open.

#225 In IntelLabs/matsciml;

· melo-gonzo opened on May 24, 2024