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
- ase >=3.22
- matplotlib >=3.5
- numpy >=1.24
- pyyaml >=6.0
- scipy >=1.10
18 optional dependencies
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chgnet>=0.3[chgnet]extra == "chgnet"
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chgnet>=0.3[full]extra == "full"
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chgnet>=0.3[all]extra == "all"
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e3nn<0.5,>=0.4.4[mace]extra == "mace"
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e3nn<0.5,>=0.4.4[all]extra == "all"
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mace-torch>=0.3[full]extra == "full"
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mace-torch>=0.3[all]extra == "all"
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mace-torch>=0.3[mace]extra == "mace"
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myst-parser[docs]extra == "docs"
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pytest>=7.0[dev]extra == "dev"
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pytest-cov>=4.0[dev]extra == "dev"
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sevenn>=0.10[full]extra == "full"
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sevenn>=0.10[sevennet]extra == "sevennet"
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sphinx[docs]extra == "docs"
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sphinx-copybutton[docs]extra == "docs"
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sphinx-design[docs]extra == "docs"
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sphinx-rtd-theme[docs]extra == "docs"
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torch-sim-atomistic>=0.6[torchsim]python_version >= "3.12" and extra == "torchsim"