CERIT-SC

CERIT-SC/mddash

One stop shop for MD simulations.

6 good first / help-wanted issues · Python · last activity Sep 29, 2026

3 stars 0 forks 3 watchers Python MIT License

biophysics computational-chemistry dashboard gromacs hpc molecular-dynamics

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6 Open Issues Need Help Last updated: Sep 29, 2026

Open Issues Need Help

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Create a logo and some better branding about 1 month ago

enhancement help wanted

CERIT-SC/mddash

3

One stop shop for MD simulations.

Python

#biophysics#computational-chemistry#dashboard#gromacs#hpc#molecular-dynamics

Create a separate github repo for amber notebooks 5 months ago

help wanted

CERIT-SC/mddash

3

One stop shop for MD simulations.

Python

#biophysics#computational-chemistry#dashboard#gromacs#hpc#molecular-dynamics

Move all docker images out of `xkrasa` and into some mddash specific harbor repo 6 months ago

help wanted

CERIT-SC/mddash

3

One stop shop for MD simulations.

Python

#biophysics#computational-chemistry#dashboard#gromacs#hpc#molecular-dynamics

Improve the analyze step 10 months ago

enhancement help wanted

CERIT-SC/mddash

3

One stop shop for MD simulations.

Python

#biophysics#computational-chemistry#dashboard#gromacs#hpc#molecular-dynamics

Integration with MDRepo 11 months ago

enhancement help wanted question

CERIT-SC/mddash

3

One stop shop for MD simulations.

Python

#biophysics#computational-chemistry#dashboard#gromacs#hpc#molecular-dynamics

Rework the UI/UX 11 months ago

enhancement help wanted

CERIT-SC/mddash

3

One stop shop for MD simulations.

Python

#biophysics#computational-chemistry#dashboard#gromacs#hpc#molecular-dynamics