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Pull requests: TorchSim/torch-sim

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Pull requests list

[DRAFT] Arbitrary Attribute Support
#354 opened Nov 23, 2025 by curtischong • Draft
3 tasks
3
Implement SimState.wrap_positions using pbc_wrap_batched
#350 opened Nov 22, 2025 by Praagnya Loading…
3 tasks done
1
2
Neighborlist api to handle batch
#348 opened Nov 20, 2025 by abhijeetgangan Loading…
3 tasks
2
Add support for AMD GPUs (consumer/datacenter) #331
#347 opened Nov 20, 2025 by amacbride Loading…
9
Feat/scale atoms when changing cell enhancement New feature or request
#344 opened Nov 17, 2025 by thomasloux Loading…
3 tasks done
@thomasloux
3
Run ty in lint CI
#339 opened Nov 10, 2025 by janosh Loading…
2
example of structure optimization with figure
#332 opened Oct 31, 2025 by wwymak • Draft
3 tasks
1
Add CSVR / V-Rescale thermostat and anisotropic C rescale barostat
#326 opened Oct 30, 2025 by thomasloux Loading…
3 tasks done
15
Features/constraints breaking Breaking changes feature Entirely new features, not improvements to existing ones
#294 opened Oct 17, 2025 by thomasloux Loading…
2 of 3 tasks
47
Add CHGNet model support ecosystem Comp-chem ecosystem related models Model-related issues and PRs
#288 opened Oct 15, 2025 by brunocucco Loading…
17
Test multi-element models in nequip-framework. models Model-related issues and PRs
#274 opened Oct 3, 2025 by CompRhys • Draft
3 tasks done
Feature/thermodynamic integration feature Entirely new features, not improvements to existing ones
#263 opened Sep 25, 2025 by thomasloux Loading…
4 tasks
2
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