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Pull requests: MuPT-hub/mupt

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Pull requests list

Discussion of automatic linting and formatting rules for standardizing mupt code contributions
#93 opened Aug 1, 2026 by timbernat Collaborator Loading…
11 tasks
@mrshirts @erjank
@dwhswenson @sbkashif @timbernat @StephMcCallum
1
Add easy-to-use dependency checkers and module inspection enhancement New feature or request internal Relating to how parts of the internal, non-user-facing API communicate
#92 opened Aug 1, 2026 by timbernat Collaborator Loading…
9 of 14 tasks
@timbernat
15
Supply mixin for boilerplate object addressing enhancement New feature or request internal Relating to how parts of the internal, non-user-facing API communicate representation Pertaining to how MuPT represents molecular systems internally
#91 opened Jul 28, 2026 by timbernat Collaborator Loading…
9 of 12 tasks
@timbernat
17
Updating Coarse-Grained DPD builder and merging into new All-Atom DPD builder
#89 opened Jun 27, 2026 by StephMcCallum Contributor • Draft
7 tasks
Connector improvements optimization Enhancement which speeds up some existing functionality representation Pertaining to how MuPT represents molecular systems internally
#82 opened Jun 4, 2026 by timbernat Collaborator • Draft
16 of 19 tasks
@timbernat
6
Fully-featured Primitive resolution shift operations
#75 opened May 26, 2026 by timbernat Collaborator • Draft
13 tasks
@timbernat
Improving cohesion of Primitive api-breaking Change which breaks dependent code or workflows enhancement New feature or request optimization Enhancement which speeds up some existing functionality representation Pertaining to how MuPT represents molecular systems internally
#56 opened May 1, 2026 by timbernat Collaborator • Draft
9 of 18 tasks
1
@timbernat
2
A simpler MuPT AI & Authorship Policy document organizational Organization-wide policies for contributions
#52 opened Apr 10, 2026 by mrshirts Loading…
19
SMILES to PolymerizeIt! ready files interface Addition which allow to support and communicate with an existing toolkit reactions Functionality for preparing templates for reactive MD simulations
#36 opened Feb 20, 2026 by tramp037 • Draft
6 of 13 tasks
@sbkashif @timbernat
5
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