Search results

Relaxation discrepency with ASE when using small MACE model

Status: Open.

#582 In TorchSim/torch-sim;

· akwarii opened on Jun 30, 2026

Missing device in FixCom / get_centers_of_mass

Status: Open.

#580 In TorchSim/torch-sim;

· sklenard opened on Jun 25, 2026

Batched MD with SevenNet+D3 can produce NaN trajectories while ASE remains finite

Status: Open.

#579 In TorchSim/torch-sim;

· sek1ro-yuzzz opened on Jun 20, 2026

Naive neighbor list is wrong for non-periodic systems carrying a cell

Status: Open.

#575 In TorchSim/torch-sim;

· lil-lon opened on Jun 13, 2026

Plans for conda packaging?

Status: Open.

#563 In TorchSim/torch-sim;

· Luthaf opened on May 19, 2026

Verify everything that should work with zero volume cell does work.

Status: Open.

#549 In TorchSim/torch-sim;

· CompRhys opened on Apr 20, 2026

Expose max_neighbors argument for batch_naive_neighbor_list

Status: Open.

#545 In TorchSim/torch-sim;

· jvita opened on Apr 14, 2026

Rework TrajectoryReporter

Status: Open.

#536 In TorchSim/torch-sim;

· CompRhys opened on Apr 6, 2026

Improve pressure and temperature shape checks in batch simulation

Status: Open.

#529 In TorchSim/torch-sim;

· thomasloux opened on Apr 4, 2026

Update deformation gradient logic

Status: Open.

#503 In TorchSim/torch-sim;

· CompRhys opened on Mar 16, 2026

Setup bug bots

bugSomething isn't workingSomething isn't working

ciContinuous integrationContinuous integration

dxDeveloper experienceDeveloper experience

Status: Open.

#472 In TorchSim/torch-sim;

· janosh opened on Feb 28, 2026

Re-enable 3.14 tests for nequip_framework, orb and fairchem

Status: Open.

#422 In TorchSim/torch-sim;

· orionarcher opened on Jan 26, 2026