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maicos-devel/maicos

Analyse molecular dynamics simulations of interfacial and confined systems.

5 good first / help-wanted issues · Python · last activity Jul 15, 2026

17 stars 7 forks 17 watchers Python GNU General Public License v3.0
confined-water mdanalysis molecular-dynamics molecular-dynamics-simulation science
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5 Open Issues Need Help Last updated: Jul 15, 2026

Open Issues Need Help

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Make MAICoS pathlib compatible 3 months ago
good first issue
maicos-devel/maicos
17

Analyse molecular dynamics simulations of interfacial and confined systems.

Python
#confined-water#mdanalysis#molecular-dynamics#molecular-dynamics-simulation#science
DOC: Add example for `maicos.lib.math.correlation_time` 6 months ago
documentation good first issue coding day priority::low
maicos-devel/maicos
17

Analyse molecular dynamics simulations of interfacial and confined systems.

Python
#confined-water#mdanalysis#molecular-dynamics#molecular-dynamics-simulation#science
`pack=True` is slow 7 months ago
enhancement help wanted pbc part::core priority::medium dev meeting discussion
maicos-devel/maicos
17

Analyse molecular dynamics simulations of interfacial and confined systems.

Python
#confined-water#mdanalysis#molecular-dynamics#molecular-dynamics-simulation#science
Test `sokal_factor` in `lib.math.correlation_time` 9 months ago
good first issue coding day testing
maicos-devel/maicos
17

Analyse molecular dynamics simulations of interfacial and confined systems.

Python
#confined-water#mdanalysis#molecular-dynamics#molecular-dynamics-simulation#science
Warn user when using triclinic boxes over 1 year ago
good first issue
maicos-devel/maicos
17

Analyse molecular dynamics simulations of interfacial and confined systems.

Python
#confined-water#mdanalysis#molecular-dynamics#molecular-dynamics-simulation#science