Search results

Possible VRAM Control Issue

bugSomething isn't workingSomething isn't working

geo-optGeometry optimizationGeometry optimization

Status: Open.

Bug

#234 In Radical-AI/torch-sim;

· alan-he-494165 opened on Aug 6, 2025

Fix fairchem model interface given v2 release.

help wantedExtra attention is neededExtra attention is needed

refactorRefactoringsRefactorings

Status: Open.

Feature

#193 In Radical-AI/torch-sim;

· CompRhys opened on May 14, 2025

include autobatching in elastic.py

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#161 In Radical-AI/torch-sim;

· falletta opened on Apr 17, 2025

Reduce flaky CI failures

ciContinuous integrationContinuous integration

Status: Open.

#133 In Radical-AI/torch-sim;

· orionarcher opened on Apr 12, 2025

<code>initialize_state</code> starts to impact memory usage at very high atom numbers &gt; 100,000,000

enhancementNew feature or requestNew feature or request

refactorRefactoringsRefactorings

Status: Open.

#129 In Radical-AI/torch-sim;

· orionarcher opened on Apr 11, 2025

Support constraints in the relaxation

featureEntirely new features, not improvements to existing onesEntirely new features, not improvements to existing ones

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#114 In Radical-AI/torch-sim;

· zdcao121 opened on Apr 5, 2025

Delete old scripts and transfer relevant logic to tests and tutorials

docsImprovements or additions to documentationImprovements or additions to documentation

refactorRefactoringsRefactorings

Status: Open.

#109 In Radical-AI/torch-sim;

· orionarcher opened on Apr 3, 2025

<code>MaceModel</code> does not work with dtype <code>torch.float32</code>

bugSomething isn't workingSomething isn't working

Status: Open.

#93 In Radical-AI/torch-sim;

· orionarcher opened on Apr 2, 2025

<code>SevenNetModel</code> does not work with <code>torch.float64</code>

bugSomething isn't workingSomething isn't working

Status: Open.

#92 In Radical-AI/torch-sim;

· orionarcher opened on Apr 2, 2025

Nudged elastic band implementation

featureEntirely new features, not improvements to existing onesEntirely new features, not improvements to existing ones

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#90 In Radical-AI/torch-sim;

· orionarcher opened on Apr 1, 2025

Implement LBFGS optimizer

featureEntirely new features, not improvements to existing onesEntirely new features, not improvements to existing ones

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#89 In Radical-AI/torch-sim;

· orionarcher opened on Apr 1, 2025

Add robust logging in runners, reporters, autobatchers

enhancementNew feature or requestNew feature or request

Status: Open.

#82 In Radical-AI/torch-sim;

· orionarcher opened on Mar 28, 2025