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 >=3.28.0
- inquirerpy >=0.3.4
- matplotlib >=3.11.0
- numba >=0.65.0
- numpy >=2.4.0
- scikit-learn >=1.9.0
- scipy >=1.17.0
- sella >=2.4.0
- tabulate >=0.10.0
- textual >=2.0.0
23 optional dependencies
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aimnet[aimnet]extra == "aimnet"
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aimnet[all]extra == "all"
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aimnet[ml]extra == "ml"
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fairchem-core[uma]extra == "uma"
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fairchem-core[ml]extra == "ml"
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fairchem-core[all]extra == "all"
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fairchem-core[fairchem]extra == "fairchem"
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mace-torch[mace]extra == "mace"
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mace-torch[all]extra == "all"
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mace-torch[ml]extra == "ml"
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pytest>=7.0[dev]extra == "dev"
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skala[skala]extra == "skala"
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skala[all]extra == "all"
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tblite[ml]extra == "ml"
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tblite[all]extra == "all"
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tblite[tblite]extra == "tblite"
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torch[aimnet]extra == "aimnet"
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torch[all]extra == "all"
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torch[fairchem]extra == "fairchem"
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torch[mace]extra == "mace"
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torch[ml]extra == "ml"
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torch[skala]extra == "skala"
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torch[uma]extra == "uma"