Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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((week_daily_avg - month_daily_avg) / month_daily_avg) * 100More insights and metrics
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Dependencies
- ase >=3.27.0
- custodian >=2025.12.14
- emmet-core >=0.87.1
- frozendict >=2.4.6
- monty >=2024.5.15
- numpy >=1.25.0
- psutil
- pydantic >=2.0.1
- pydantic-settings >=2.2.0
- pymatgen-core >=2026.7.16
- ruamel-yaml >=0.17.40
- typer >=0.12.1
34 optional dependencies
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atomate2>=0.1.5[atomate2]extra == "atomate2"
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blacken-docs>=1.16.0[docs]extra == "docs"
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cairosvg>=2.7.1[docs]extra == "docs"
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dask>=2023.12.1[dask]extra == "dask"
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dask-jobqueue>=0.8.2[prefect]extra == "prefect"
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dask-jobqueue>=0.8.2[dask]extra == "dask"
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fairchem-core>=2.23.0[fairchem]extra == "fairchem"
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fairchem-core>=2.23.0[mlip]extra == "mlip"
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fairchem-data-oc>=1.0.2[fairchem]extra == "fairchem"
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fairchem-data-omat>=0.2[fairchem]extra == "fairchem"
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fairchem-data-omol>=0.1.2[fairchem]extra == "fairchem"
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jobflow>=0.3.0[jobflow]extra == "jobflow"
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jobflow-remote>=1.0.0[jobflow]extra == "jobflow"
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matcalc>=0.5.1[mlip]extra == "mlip"
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mkdocstrings-python>=2.0.0[docs]extra == "docs"
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parsl>=2024.5.27[parsl]platform_system != "Windows" and extra == "parsl"
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phonopy>=2.20.0[phonons]extra == "phonons"
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pillow>=10.0.0[docs]extra == "docs"
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prefect>=3.3.6[prefect]extra == "prefect"
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protobuf<=7.36.2[ray]extra == "ray"
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pymatgen-analysis-defects>=2024.10.22[defects]extra == "defects"
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pytest>=7.4.0[dev]extra == "dev"
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pytest-asyncio>=0.26.0[dev]extra == "dev"
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pytest-cov>=7.0.0[dev]extra == "dev"
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ray>=2.55.0[ray]extra == "ray"
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redun>=0.16.2[redun]extra == "redun"
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rootstock>=0.9.1[mlip]extra == "mlip"
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ruff>=0.0.285[dev]extra == "dev"
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seekpath>=2.1.0[phonons]extra == "phonons"
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sella>=2.3.5[sella]extra == "sella"
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shakenbreak>=3.2.0[defects]extra == "defects"
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tblite>=0.3.0[tblite]platform_system == "Linux" and extra == "tblite"
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torch-sim-atomistic>=0.5.0[torchsim]extra == "torchsim"
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zensical>=0.0.24[docs]extra == "docs"
Used By
- sinapse-sdk 543/mo
- himatcal 95/mo