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depscope/pypi/atomate2

atomate2

pypiv0.1.5

atomate2 is a library of materials science workflows

License BSD-3-Clause-LBNL30 versions61 deps10,343 weekly dl
72
/ 100
Health
safe to use

[email protected] is safe to use (health: 72/100)

Health breakdown0 – 100
25/25
maintenance
10/20
popularity
25/25
security
12/15
maturity
0/15
community
Vulnerabilities
0
none known

Health History

Dependency Tree

License Audit

Dependencies (61)
PyYAMLclickcustodianemmet-corejobflowmontynumpypydantic-settingspydanticpymatgenpymongoabipynetCDF4pymatgen-io-aimspymatgenamsetpydash;cclibmp-apiphonopyseekpathijsonlobsterpydscribepymatgen-analysis-defectspython-ulidasetblitechgnetatomate2[ase];torch-sim-atomistic[symmetry]pymatgenpymatgen-analysis-diffusionmdanalysisopenmm-mdanalysis-reporteropenmmfireworksmdanalysismontyopenmm-mdanalysis-reporteropenmmpymatgencalorinecalorinechgnetquippy-asesevenndeepmd-kittensorflow-cputensorflowwandbupetmatglnequipmace-torchtorch-dftdnequip-allegroatomate2[ase,ase-ext,cclib,defects,lobster,mp,openmm,phonons];numpynumba
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Last updated · 2026-07-13T06:21:52.733540Z

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