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Pull requests: TorchSim/torch-sim

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Pull requests list

Batched pairfunction cleanup breaking Breaking changes
#488 opened Mar 3, 2026 by CompRhys Loading…
1
Remove StateDict type and ensure_sim_state helper api API design discussions breaking Breaking changes
#487 opened Mar 2, 2026 by orionarcher Loading…
3 tasks done
2
Enforce compatible constraints in DOF helper api API design discussions fix Bug fix tests Test all the things
#480 opened Mar 1, 2026 by janosh Loading…
6
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 • Draft
Introduce more extensible scheme for extra properties. api API design discussions
#464 opened Feb 23, 2026 by CompRhys • Draft
14
Use first-party implementation of Orb Model Interface. keep-open PRs to be ignored by StaleBot
#456 opened Feb 17, 2026 by CompRhys Loading…
1
2
Clamp Frechet log-space deformation gradient to prevent NaN from matrix_exp overflow
#450 opened Feb 10, 2026 by janosh Loading…
4
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 Loading…
4 tasks
2
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