pymatgen¶
Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes.
https://pymatgen.org/
Available modules¶
The overview below shows which pymatgen installations are available per target architecture in EESSI, ordered based on software version (new to old).
To start using pymatgen, 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| pymatgen/2023.12.18-foss-2023a | x | x | x | x | x | x | x | x | x | x | x | x | x | x |
pymatgen/2023.12.18-foss-2023a¶
This is a list of extensions included in the module:
aioitertools-0.11.0, anyio-3.7.1, dnspython-2.4.2, emmet-core-0.75.0, fastapi-0.105.0, h11-0.14.0, latexcodec-2.0.1, maggma-0.60.2, mongogrant-0.3.3, mongomock-4.1.2, monty-2023.11.3, mp-api-0.39.4, orjson-3.9.10, palettable-3.3.0, pybtex-0.24.0, pydantic-settings-2.1.0, pydash-7.0.6, pymatgen-2023.12.18, pymongo-4.6.1, python-dotenv-1.0.0, sentinels-1.0.0, sniffio-1.3.0, sshtunnel-0.4.0, starlette-0.27.0, uvicorn-0.25.0