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Import failing in the default setup notebook

bugSomething isn't workingSomething isn't working

Status: Open.

Bug

#83 In CERIT-SC/mddash;

· Fidasek009 opened on Mar 21, 2026

Add multiple jupyter notebook flavors with GPU option as well

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#82 In CERIT-SC/mddash;

· Fidasek009 opened on Mar 20, 2026

Add aggressive culling to user juypyter notebooks

Status: Open.

Feature

#81 In CERIT-SC/mddash;

· Fidasek009 opened on Mar 20, 2026

S3 sync daemon deleting files that it shouldn't delete

bugSomething isn't workingSomething isn't working

Status: Open.

Bug

#80 In CERIT-SC/mddash;

· Fidasek009 opened on Mar 19, 2026

Add support for other MD engines

enhancementNew feature or requestNew feature or request

questionFurther information is requestedFurther information is requested

Status: Open.

#79 In CERIT-SC/mddash;

· Fidasek009 opened on Mar 18, 2026

When starting the simulation from a checkpoint, the estimated time calculation doesn't take it into consideration.

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

Bug

#76 In CERIT-SC/mddash;

· Fidasek009 opened on Mar 11, 2026

Should we support deployment outside of Rancher?

questionFurther information is requestedFurther information is requested

Status: Open.

#71 In CERIT-SC/mddash;

· Fidasek009 opened on Mar 3, 2026

Provide jupyter notebook for analysis

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#57 In CERIT-SC/mddash;

· rosinec opened on Jan 14, 2026

Better linking of prepare-tune-run on mdrun parameters

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#56 In CERIT-SC/mddash;

· ljocha opened on Jan 13, 2026

Resource allocation for production use

enhancementNew feature or requestNew feature or request

Status: Open.

Task

#55 In CERIT-SC/mddash;

· ljocha opened on Jan 13, 2026

Support heavy gromacs calls from notebooks

enhancementNew feature or requestNew feature or request

Status: Open.

Task

#54 In CERIT-SC/mddash;

· ljocha opened on Jan 13, 2026

Run file uplad to MDRepo as a k8s job and only upload files from s3

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#44 In CERIT-SC/mddash;

· Fidasek009 opened on Dec 7, 2025