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
- h5py >=3.6.0
- interpolation >=2.2.7
- numba >=0.60
- numpy >=1.20
- pyscf >=2.6
- pyyaml
- scikit-learn >=1.0.1
- scipy >=1.12
- sympy
4 optional dependencies
-
dftd4>=3.7[d4]extra == "d4"
-
pyscf-dispersion>=1.3[d4]extra == "d4"
-
pytest[test]extra == "test"
-
torch[cider24]extra == "cider24"