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Pull requests: TorchSim/torch-sim

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Pull requests list

Replace manual initialization with from_state across integrators and optimizers breaking Breaking changes
#420 opened Jan 23, 2026 by orionarcher Loading…
3 tasks done
2
11
Specify MACE models by URL or by name enhancement New feature or request
#419 opened Jan 23, 2026 by curtischong Loading…
3
Feature: Enable user to save initial state of trajectory
#415 opened Jan 21, 2026 by danielzuegner Loading…
3 tasks done
Implement lbfgs and bfgs keep-open
#365 opened Nov 26, 2025 by abhijeetgangan Loading…
3 tasks
19
Implement SimState.wrap_positions using pbc_wrap_batched
#350 opened Nov 22, 2025 by Praagnya Loading…
3 tasks done
1
5
Run ty in lint CI keep-open
#339 opened Nov 10, 2025 by janosh Loading…
2
Add CHGNet model support ecosystem Comp-chem ecosystem related models Model-related issues and PRs
#288 opened Oct 15, 2025 by brunocucco Loading…
17
Feature/thermodynamic integration feature Entirely new features, not improvements to existing ones keep-open
#263 opened Sep 25, 2025 by thomasloux Loading…
4 tasks
2
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