acpype¶
A tool based in Python to use Antechamber to generate topologies for chemical compounds andto interface with others python applications like CCPN and ARIA.
https://github.com/alanwilter/acpype
Available modules¶
The overview below shows which acpype installations are available per target architecture in EESSI, ordered based on software version (new to old).
To start using acpype, load one of these modules using a module load command like:
(This data was automatically generated on Sat, 21 Feb 2026 at 13:03:00 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| acpype/2023.10.27-foss-2023a | x | x | x | x | x | x | x | x | x | x | x | x | x | x |
acpype/2023.10.27-foss-2023a¶
This is a list of extensions included in the module:
acpype-2023.10.27