Skip to content

Pull requests: TorchSim/torch-sim

New pull request New
12 Open 227 Closed
12 Open 227 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

Feat/allow different temperatures ts integrate
#367 opened Nov 27, 2025 by thomasloux Loading…
3 tasks done
10
Implement lbfgs and bfgs
#365 opened Nov 26, 2025 by abhijeetgangan Loading…
3 tasks
17
Feature: Enable appending to trajectory when using ts.optimize/ts.integrate
#361 opened Nov 25, 2025 by danielzuegner Loading…
3 tasks done
1
34
Implement SimState.wrap_positions using pbc_wrap_batched
#350 opened Nov 22, 2025 by Praagnya Loading…
3 tasks done
1
5
Neighborlist api to handle batch
#348 opened Nov 20, 2025 by abhijeetgangan Loading…
3 tasks
6
Feat/scale atoms when changing cell enhancement New feature or request
#344 opened Nov 17, 2025 by thomasloux Loading…
3 tasks done
@thomasloux
3
Run ty in lint CI
#339 opened Nov 10, 2025 by janosh Loading…
2
example of structure optimization with figure
#332 opened Oct 31, 2025 by wwymak • Draft
3 tasks
1
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
85
Add CHGNet model support ecosystem Comp-chem ecosystem related models Model-related issues and PRs
#288 opened Oct 15, 2025 by brunocucco Loading…
17
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
2
ProTip! Follow long discussions with comments:>50.