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Bug: Spin and charge get lost in optimizers

Status: Open.

#389 In TorchSim/torch-sim;

· niklashoelter opened on Dec 17, 2025

Sevennet broken with new v0.12.0 release

bugSomething isn't workingSomething isn't working

Status: Open.

#387 In TorchSim/torch-sim;

· orionarcher opened on Dec 16, 2025

Portable batched neighbourt list

enhancementNew feature or requestNew feature or request

Status: Open.

#386 In TorchSim/torch-sim;

· venkatkapil24 opened on Dec 12, 2025

Automatically Fetching Public Pre-trained Mace Models in Mace Interface via Model Name

enhancementNew feature or requestNew feature or request

Status: Open.

#381 In TorchSim/torch-sim;

· curtischong opened on Dec 11, 2025

Remove last_permutation from SwapMCState initialization

bugSomething isn't workingSomething isn't working

Status: Open.

#379 In TorchSim/torch-sim;

· curtischong opened on Dec 10, 2025

Run tests on GPU

ml-eng-friendly

testsTest all the thingsTest all the things

Status: Open.

#371 In TorchSim/torch-sim;

· curtischong opened on Nov 30, 2025

Add integrator tests to check correct sampling of thermodynamic ensemble

testsTest all the thingsTest all the things

Status: Open.

#363 In TorchSim/torch-sim;

· thomasloux opened on Nov 26, 2025

Cannot append to exisiting trajectory via <code>ts.integrate</code>/<code>ts.optimize</code>

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#356 In TorchSim/torch-sim;

· danielzuegner opened on Nov 24, 2025

Benchmark Making SimState.system_idx a sparse tensor

ml-eng-friendly

Status: Open.

#352 In TorchSim/torch-sim;

· curtischong opened on Nov 23, 2025

Implement SimState.wrap_positions

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#343 In TorchSim/torch-sim;

· thomasloux opened on Nov 17, 2025

Standardize parameter typing to <code>float | torch.Tensor</code> when appropriate

docsImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

Status: Open.

#325 In TorchSim/torch-sim;

· orionarcher opened on Oct 29, 2025

Faster tests and leaner scripts

testsTest all the thingsTest all the things

Status: Open.

#315 In TorchSim/torch-sim;

· abhijeetgangan opened on Oct 27, 2025