Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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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 >=3.22.0
- configparser >=5.0.0
- mdanalysis >=2.0.0
- networkx >=2.5
- numpy >=1.20.0
- packmol >=21.2.3
- platformdirs >=2.0.0
- rdkit >=2024.3.5
8 optional dependencies
-
fairchem-core[aimd]extra == "aimd"
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fairchem-core[all]extra == "all"
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pymbxas[resp]extra == "resp"
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pymbxas[all]extra == "all"
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pyscf>=2.0.0[all]extra == "all"
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pyscf>=2.0.0[resp]extra == "resp"
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pytest>=7[test]extra == "test"
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pytest-cov>=4[test]extra == "test"