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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Dependencies
- alembic >=1.13
- ase >=3.27.0
- chemparse >=0.3.2
- dscribe ==2.1.2
- filelock >=3.13.0
- matplotlib >=3.8.0
- numpy >=1.26
- phonopy >=2.47.1
- platformdirs >=4.9.4
- pydantic >=2.12.5
- pymatgen >=2025.10.7
- pyxtal >=1.1.2
- scipy >=1.14.0
- seekpath >=2.2.1
- spglib >=2.7.0
- sqlalchemy >=2.0.30
- tabulate >=0.10.0
- tomli-w >=1.2.0
- torch <2.10.0,>=2.9.0
- urwid >=2.6.0
10 optional dependencies
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mattersim>=1.2.0[mattersim]extra == "mattersim"
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mattersim>=1.2.0[all-calculators]extra == "all-calculators"
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nequip>=0.16.2[nequip]extra == "nequip"
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nequip>=0.16.2[all-calculators]extra == "all-calculators"
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pytest>=8.0.0[dev]extra == "dev"
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ruff>=0.8.0[dev]extra == "dev"
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upet>=0.2.1[all-calculators]extra == "all-calculators"
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upet>=0.2.1[upet]extra == "upet"
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warp-lang<1.14[all-calculators]extra == "all-calculators"
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warp-lang<1.14[upet]extra == "upet"