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
- datasets >=4.8.5
- fsspec >=2026.2.0
- huggingface-hub >=1.7.2
- ipympl >=0.9.7
- matminer >=0.10.1
- monty >=2025.3.3
- numpy >=2
- omegaconf >=2.3.0
- pandarallel >=1.6.5
- pandas >=2.1.1
- pyarrow >=24.0.0
- pydantic >=2.12.5
- pymatgen >=2025.10.7
- pyxtal ==1.1.5
- safetensors >=0.7.0
- schedulefree >=1.4.1
- scikit-learn >=1.5.0
- smact >=2.5.5
- torch >=2.10.0
- wandb >=0.25.0
- wrapt-timeout-decorator >=1.5.1
20 optional dependencies
-
ase>=3.23[relax]extra == "relax"
-
ase[research]extra == "research"
-
build[publish]extra == "publish"
-
calorine>=3.5[nep]extra == "nep"
-
cuequivariance-ops-torch-cu13>=0.9[cuequivariance-cu13]extra == "cuequivariance-cu13"
-
cuequivariance-torch>=0.9[cuequivariance-cu13]extra == "cuequivariance-cu13"
-
ipykernel[research]extra == "research"
-
ipympl[research]extra == "research"
-
ipywidgets[research]extra == "research"
-
jupyter[research]extra == "research"
-
mace-torch>=0.3[relax]extra == "relax"
-
matbench-discovery[research]extra == "research"
-
mp-api>=0.46.5[mp]extra == "mp"
-
orb-models>=0.5.1[relax]extra == "relax"
-
packaging>=25[publish]extra == "publish"
-
pytest>=9.0.2[dev]extra == "dev"
-
ruff>=0.15.0[dev]extra == "dev"
-
scipy>=1.15[nep]extra == "nep"
-
triton>=3[cuequivariance-cu13]extra == "cuequivariance-cu13"
-
twine[publish]extra == "publish"