Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
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((week_daily_avg - month_daily_avg) / month_daily_avg) * 100More insights and metrics
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Dependencies
- ase >=3.26.0
- ase-db-backends >=0.10.0
- backoff
- clusterscope ==0.0.18
- e3nn >=0.5
- huggingface-hub >=0.27.1
- hydra-core >=1.3
- lmdb <=1.7.3,>=1.6.2
- monty >=2026.2.18
- numba >=0.62.0
- numpy <2.5,>=2.0
- nvalchemi-toolkit-ops >=0.4.1
- orjson
- pyyaml
- requests
- scipy >=1.15.0
- setuptools <81.0.0
- submitit >=1.5.4
- torch ~=2.13.0
- torchtnt
- tqdm
- wandb
- websockets
25 optional dependencies
-
astroid<4[docs]extra == "docs"
-
coverage[dev]extra == "dev"
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dscribe[adsorbml]extra == "adsorbml"
-
ipywidgets[docs]extra == "docs"
-
jupyter-book[docs]extra == "docs"
-
jupytext[docs]extra == "docs"
-
pandas[extras]extra == "extras"
-
pre-commit[dev]extra == "dev"
-
pyarrow[extras]extra == "extras"
-
pymatgen>=2025.1.9[extras]extra == "extras"
-
pytest[dev]extra == "dev"
-
pytest-cov[dev]extra == "dev"
-
quacc>=0.15.3[extras]extra == "extras"
-
ray>=2.56.1[dev]extra == "dev"
-
ray>=2.56.1[ray]extra == "ray"
-
ruff==0.5.1[dev]extra == "dev"
-
scikit-image[adsorbml]extra == "adsorbml"
-
sphinx[docs]extra == "docs"
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sphinx-autoapi==3.3.3[docs]extra == "docs"
-
syrupy[dev]extra == "dev"
-
torch-dftd[docs]extra == "docs"
-
torch-sim-atomistic>=0.6.0[torchsim]python_version >= "3.12" and extra == "torchsim"
-
umap-learn[docs]extra == "docs"
-
vdict[docs]extra == "docs"
-
x3dase[adsorbml]extra == "adsorbml"
Used By
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- mlmm-toolkit 1.5K/mo
- fairchem-applications-cattsunami 947/mo
- gpuma 789/mo
- uma-ase 394/mo
- chemreporter 250/mo
- equflash 219/mo
- fairchem-lammps 210/mo
- equiformer-v3 184/mo