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Pull requests: MuPT-hub/mupt

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Pull requests list

XML for LJ-FENE in GMSO style enhancement New feature or request interface Addition which allow to support and communicate with an existing toolkit
#29 opened Jan 27, 2026 by StephMcCallum Loading…
4 of 6 tasks
@StephMcCallum
41
Add MDAnalysis Export Interface for SAAMR-compliant Primitives enhancement New feature or request interface Addition which allow to support and communicate with an existing toolkit
#24 opened Jan 23, 2026 by joelaforet • Draft
6 tasks
@mrshirts @timbernat @joelaforet
26
Hierarchical Exporters: RDKit, OpenFF, and MDAnalysis with residue/chain metadata enhancement New feature or request interface Addition which allow to support and communicate with an existing toolkit
#22 opened Jan 5, 2026 by joelaforet • Draft
8 of 12 tasks
@mrshirts @timbernat @joelaforet
45
Improving cohesion of Primitive representation
#15 opened Nov 12, 2025 by timbernat • Draft
12 tasks
1
Fully-featured Primitive resolution shift operations representation
#8 opened Oct 28, 2025 by timbernat • Draft
14 tasks
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