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
- h5py >=3.15.1
-
numpy
<3,>=1.26
python_full_version < "3.13"
- nvalchemi-toolkit-ops >=0.4.0
- tables >=3.11.1
- torch >=2
- tqdm >=4.67
38 optional dependencies
-
ase>=3.26[io]extra == "io"
-
autodoc-pydantic==2.2.0[docs]extra == "docs"
-
duecredit>=0.11[docs]extra == "docs"
-
fairchem-core>=2.20.0[fairchem]extra == "fairchem"
-
furo==2024.8.6[docs]extra == "docs"
-
ipykernel==6.30.1[docs]extra == "docs"
-
ipython==8.34.0[docs]extra == "docs"
-
jsonschema[docs]extra == "docs"
-
jupyter-core==5.8.1[docs]extra == "docs"
-
jupyterlab==4.3.4[docs]extra == "docs"
-
jupytext==1.16.7[docs]extra == "docs"
-
mace-torch>=0.3.16[mace]extra == "mace"
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mattersim>=1.2.5[mattersim]extra == "mattersim"
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metatomic-ase>=0.1.0[metatomic]extra == "metatomic"
-
metatomic-torchsim>=0.1.1[metatomic]extra == "metatomic"
-
moyopy>=0.7.8[symmetry]extra == "symmetry"
-
myst-parser==4.0.0[docs]extra == "docs"
-
nbsphinx>=0.9.7[docs]extra == "docs"
-
nequip>=0.17.1[nequip]extra == "nequip"
-
nequix>=0.4.5[nequix]extra == "nequix"
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numpydoc==1.8.0[docs]extra == "docs"
-
orb-models>=0.6.2[orb]extra == "orb"
-
phono3py>=4.0.0[mattersim]extra == "mattersim"
-
phonopy>=3.0.0[io]extra == "io"
-
physical-validation>=1.0.5[test]extra == "test"
-
platformdirs>=4.0.0[test]extra == "test"
-
psutil>=7.0.0[test]extra == "test"
-
pymatgen>=2026.3.23[io]extra == "io"
-
pytest>=8[test]extra == "test"
-
pytest-cov>=6[test]extra == "test"
-
sevenn>=0.12.1[sevenn]extra == "sevenn"
-
spglib>=2.6[test]extra == "test"
-
sphinx==8.1.3[docs]extra == "docs"
-
sphinx-copybutton==0.5.2[docs]extra == "docs"
-
sphinx-design==0.6.1[docs]extra == "docs"
-
torch-sim-atomistic[test]extra == "test"
-
upet>=0.2.0[metatomic]extra == "metatomic"
-
vesin>=0.5.8[vesin]extra == "vesin"
Used By
- mattersim 43.5K/mo
- metatomic-torchsim 995/mo
- gpuma 789/mo
- deepmd-torchsim 230/mo
- microstack 59/mo