pyMBE¶
pyMBE: the Python-based Molecule Builder for ESPResSopyMBE provides tools to facilitate building up molecules with complex architecturesin the Molecular Dynamics software ESPResSo.
Available modules¶
The overview below shows which pyMBE installations are available per target architecture in EESSI, ordered based on software version (new to old).
To start using pyMBE, 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| pyMBE/0.8.0-foss-2023b | x | x | x | x | x | x | x | x | x | x | x | x | x | x |
pyMBE/0.8.0-foss-2023b¶
This is a list of extensions included in the module:
biopandas-0.5.1.dev0, looseversion-1.1.2, mmtf-python-1.1.3, Pint-Pandas-0.5, pyMBE-0.8.0