Package Insights
((week_daily_avg - month_daily_avg) / month_daily_avg) * 100Weekly Downloads
GitHub Stars
Downloads by OS
Python Versions
Top Countries
Dependencies
- ase >=3.26.0
- ase-db-backends >=0.10.0
- clusterscope ==0.0.18
- e3nn >=0.5
- huggingface-hub >=0.27.1
- hydra-core
- lmdb <=1.7.3,>=1.6.2
- monty >=v2025.1.3
- numba >=0.62.0
- numpy <2.5,>=2.0
- orjson
- pyyaml
- ray >=2.53.0
- requests
- scipy >=1.15.0
- setuptools <81.0.0
- submitit
- torch ~=2.8.0
- torchtnt
- tqdm
- wandb
- websockets
24 optional dependencies
- astroid[docs]
- coverage[dev]
- dscribe[adsorbml]
- ipywidgets[docs]
- jupyter-book[docs]
- jupytext[docs]
- nvalchemi-toolkit-ops[extras]
- pandas[extras]
- pre-commit[dev]
- pyarrow[extras]
- pymatgen[extras]
- pytest[dev]
- pytest-cov[dev]
- quacc[extras]
- ruff[dev]
- scikit-image[adsorbml]
- sphinx[docs]
- sphinx-autoapi[docs]
- syrupy[dev]
- torch-dftd[docs]
- torch-sim-atomistic[torchsim]
- umap-learn[docs]
- vdict[docs]
- x3dase[adsorbml]