Skip to content

Pull requests: TorchSim/torch-sim

New pull request New
8 Open 206 Closed
8 Open 206 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

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 • Draft
3 tasks
7
convert cell_to_cellpar from ase's numpy implementation to pytorch
#306 opened Oct 25, 2025 by wwymak Loading…
1
4
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! Filter pull requests by the default branch with base:main.