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Pull requests: TorchSim/torch-sim

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Pull requests list

Enhance pymatgen io functions to support system and atom extras
#605 opened Sep 10, 2026 by akwarii Loading…
3 tasks done
1
Added DeePMD-kit PyTorch backend integration
#604 opened Sep 1, 2026 by rahulumrao Loading…
3 tasks
8
alchemiops.py: Flag as unavailable on non-NVIDIA torch builds
#603 opened Aug 31, 2026 by yantar92 Loading…
3 tasks done
12
Fix/ase fire deform grad forces
#602 opened Aug 29, 2026 by curtischong Collaborator Loading…
9
(feat) optional mass weighting in VACF
#598 opened Aug 15, 2026 by jwjeffr Loading…
3 tasks done
2
feat(state): make pbc a per-system attribute
#594 opened Jul 25, 2026 by lil-lon Contributor Loading…
3 tasks done
4
Add enhanced-sampling submodule: metadynamics, boxed dynamics, and loxodynamics feature Entirely new features, not improvements to existing ones
#581 opened Jun 25, 2026 by amateurcat Loading…
5
Split constraints
#547 opened Apr 16, 2026 by thomasloux Collaborator • Draft
3 tasks
4
Nudged Elastic Band feature Entirely new features, not improvements to existing ones keep-open PRs to be ignored by StaleBot
#473 opened Feb 28, 2026 by CompRhys Member Loading…
1
9
Thermodynamic Integration feature Entirely new features, not improvements to existing ones keep-open PRs to be ignored by StaleBot
#263 opened Sep 25, 2025 by thomasloux Collaborator Loading…
4 tasks
1
2
ProTip! Exclude everything labeled bug with -label:bug.