Skip to content

Pull requests: choderalab/modelforge

New pull request New
7 Open 204 Closed
7 Open 204 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
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

add ANI2x test against original implementation
#294 opened Oct 22, 2024 by wiederm Loading…
3 tasks done
@wiederm
6
Implement representation block of DimNet++ enhancement New feature or request
#290 opened Oct 18, 2024 by AnnaPicha Loading…
4 tasks
@wiederm @AnnaPicha
Separate training and inference from NNP factory enhancement New feature or request
#288 opened Oct 16, 2024 by MarshallYan Loading…
4 of 10 tasks
1
@MarshallYan
1
Memory profiling enhancement New feature or request
#266 opened Oct 7, 2024 by wiederm • Draft
5 of 8 tasks
1
@wiederm
1
Revisit shape of per-atom/molecule tensors documentation Improvements or additions to documentation
#195 opened Jul 12, 2024 by wiederm • Draft
5 tasks
@wiederm
Implement SpookyNet potential enhancement New feature or request
#133 opened May 29, 2024 by ArnNag Loading…
6 tasks
@ArnNag
Uncertainty aware models
#66 opened Feb 7, 2024 by yuanqing-wang Loading…
3 of 4 tasks
6
ProTip! Follow long discussions with comments:>50.