MDAnalysis¶
MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD)simulations in many popular formats.
https://www.mdanalysis.org/
Available modules¶
The overview below shows which MDAnalysis installations are available per target architecture in EESSI, ordered based on software version (new to old).
To start using MDAnalysis, load one of these modules using a module load command like:
(This data was automatically generated on Fri, 06 Feb 2026 at 13:12:13 UTC)
| aarch64/generic | aarch64/a64fx | aarch64/neoverse_n1 | aarch64/neoverse_v1 | aarch64/nvidia/grace | x86_64/generic | x86_64/amd/zen2 | x86_64/amd/zen3 | x86_64/amd/zen4 | x86_64/intel/cascadelake | x86_64/intel/haswell | x86_64/intel/icelake | x86_64/intel/sapphirerapids | x86_64/intel/skylake_avx512 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MDAnalysis/2.4.2-foss-2022b | x | x | x | x | x | x | x | x | x | x | x | x | x | x |
MDAnalysis/2.4.2-foss-2022b¶
This is a list of extensions included in the module:
fasteners-0.18, funcsigs-1.0.2, GridDataFormats-1.0.1, gsd-2.8.0, MDAnalysis-2.4.2, mmtf-python-1.1.3, mrcfile-1.4.3, msgpack-1.0.5