mstore¶
Molecular structure store for testing
https://github.com/grimme-lab/mstore
Available modules¶
The overview below shows which mstore installations are available per target architecture in EESSI, ordered based on software version (new to old).
To start using mstore, 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| mstore/0.3.0-GCC-13.2.0 | x | x | x | x | x | x | x | x | x | x | x | x | x | x |
| mstore/0.3.0-GCC-12.3.0 | x | x | x | x | x | x | x | x | x | x | x | x | x | x |