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Pull requests: TorchSim/torch-sim

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Pull requests list

Consolidate model and model_name args in FairchemModel
#377 opened Dec 9, 2025 by orionarcher Loading…
3 tasks
Feat/allow different temperatures ts integrate
#367 opened Nov 27, 2025 by thomasloux Loading…
3 tasks done
Implement lbfgs and bfgs
#365 opened Nov 26, 2025 by abhijeetgangan Loading…
3 tasks
Implement SimState.wrap_positions using pbc_wrap_batched
#350 opened Nov 22, 2025 by Praagnya Loading…
3 tasks done
Neighborlist api to handle batch
#348 opened Nov 20, 2025 by abhijeetgangan Loading…
3 tasks
Feat/scale atoms when changing cell enhancement New feature or request
#344 opened Nov 17, 2025 by thomasloux Loading…
3 tasks done
Run ty in lint CI
#339 opened Nov 10, 2025 by janosh Loading…
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
Add CHGNet model support ecosystem Comp-chem ecosystem related models Model-related issues and PRs
#288 opened Oct 15, 2025 by brunocucco Loading…
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
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