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Pull requests: TorchSim/torch-sim

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Pull requests list

Autobatch oom
#337 opened Nov 5, 2025 by cw-tan Loading…
1 of 3 tasks
6
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
14
Mixed Pbc Support breaking Breaking changes feature Entirely new features, not improvements to existing ones
#320 opened Oct 28, 2025 by curtischong Loading…
3 tasks
17
convert cell_to_cellpar from ase's numpy implementation to pytorch
#306 opened Oct 25, 2025 by wwymak Loading…
1
9
Features/constraints breaking Breaking changes feature Entirely new features, not improvements to existing ones
#294 opened Oct 17, 2025 by thomasloux • Draft
2 of 3 tasks
11
Add CHGNet model support ecosystem Comp-chem ecosystem related models Model-related issues and PRs
#288 opened Oct 15, 2025 by brunocucco Loading…
16
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 • Draft
4 tasks
1
ProTip! What’s not been updated in a month: updated:<2025-10-06.