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Dependencies
- avitai-artifex >=0.1.0
- beartype >=0.15.0
- blackjax >=1.2.5
- calibrax >=0.1.1
- datarax >=0.1.3
- diffrax >=0.4.0
- distrax <0.2.0,>=0.1.0
- flax >=0.12.0
- jax >=0.8.0
- jaxtyping >=0.2.20
- lineax >=0.0.8
- matplotlib >=3.7.0
- numpy >=1.24.0
- optax >=0.2.6
- optimistix >=0.0.10
- orbax-checkpoint >=0.11.13
- plotly >=5.15.0
- pydantic >=2.0.0
- pyyaml >=6.0.2
- scipy >=1.10.0
- tensorly >=0.9.0
- tf-keras >=2.19.0
- tfp-nightly ==0.26.0.dev20251024
- tqdm >=4.67.1
- typer >=0.9.0
- typing-extensions >=4.5.0
307 optional dependencies
- alembic[all]
- alembic[platform]
- ase[opifex-dev]
- ase[neural-dft]
- asyncpg[all]
- asyncpg[platform]
- bandit[opifex-dev]
- bandit[all]
- bandit[all-cpu]
- bandit[all-macos]
- bandit[cuda-dev]
- bandit[dev]
- basis-set-exchange[opifex-dev]
- basis-set-exchange[quantum-chemistry]
- beartype[all-macos]
- beartype[test]
- beartype[all]
- beartype[all-cpu]
- build[cuda-dev]
- build[opifex-dev]
- build[all]
- build[all-cpu]
- build[all-macos]
- build[dev]
- coverage[dev]
- coverage[test]
- coverage[opifex-dev]
- coverage[cuda-dev]
- coverage[all-macos]
- coverage[all-cpu]
- coverage[all]
- fastapi[platform]
- fastapi[all]
- grain[scientific-data]
- grain[all]
- griffe[docs]
- griffe[all-cpu]
- griffe[all]
- griffe[all-macos]
- h5py[pdebench]
- h5py[scientific-data]
- h5py[all]
- h5py[neural-dft]
- h5py[opifex-dev]
- hippogriffe[docs]
- hippogriffe[all-cpu]
- hippogriffe[all]
- hippogriffe[all-macos]
- hydra-core[pdebench]
- ipykernel[all]
- ipykernel[all-cpu]
- ipykernel[all-macos]
- ipykernel[cuda-dev]
- ipykernel[dev]
- ipykernel[opifex-dev]
- jax[opifex-dev]
- jax[all]
- jax[cuda-dev]
- jax[gpu]
- jaxlib[opifex-dev]
- jaxlib[gpu]
- jaxlib[cuda-dev]
- jaxlib[all]
- jax-metal[metal]
- jax-metal[all-macos]
- jupytext[cuda-dev]
- jupytext[dev]
- jupytext[opifex-dev]
- jupytext[all]
- jupytext[all-cpu]
- jupytext[all-macos]
- meshio[scientific-data]
- meshio[all]
- meshio[all-cpu]
- meshio[all-macos]
- meshio[cuda-dev]
- meshio[dev]
- meshio[opifex-dev]
- mkdocs[all-macos]
- mkdocs[all-cpu]
- mkdocs[all]
- mkdocs[docs]
- mkdocs-include-exclude-files[all-macos]
- mkdocs-include-exclude-files[all-cpu]
- mkdocs-include-exclude-files[all]
- mkdocs-include-exclude-files[docs]
- mkdocs-ipynb[all]
- mkdocs-ipynb[all-macos]
- mkdocs-ipynb[docs]
- mkdocs-ipynb[all-cpu]
- mkdocs-jupyter[all-macos]
- mkdocs-jupyter[docs]
- mkdocs-jupyter[all-cpu]
- mkdocs-jupyter[all]
- mkdocs-material[all-cpu]
- mkdocs-material[all]
- mkdocs-material[all-macos]
- mkdocs-material[docs]
- mkdocstrings[docs]
- mkdocstrings[all]
- mkdocstrings[all-cpu]
- mkdocstrings[all-macos]
- mkdocstrings-python[all]
- mkdocstrings-python[docs]
- mkdocstrings-python[all-macos]
- mkdocstrings-python[all-cpu]
- netcdf4[opifex-dev]
- netcdf4[neural-dft]
- nvidia-cublas-cu12[gpu]
- nvidia-cublas-cu12[all]
- nvidia-cublas-cu12[cuda-dev]
- nvidia-cublas-cu12[opifex-dev]
- nvidia-cuda-cupti-cu12[opifex-dev]
- nvidia-cuda-cupti-cu12[gpu]
- nvidia-cuda-cupti-cu12[cuda-dev]
- nvidia-cuda-cupti-cu12[all]
- nvidia-cuda-nvcc-cu12[all]
- nvidia-cuda-nvcc-cu12[opifex-dev]
- nvidia-cuda-nvcc-cu12[cuda-dev]
- nvidia-cuda-nvcc-cu12[gpu]
- nvidia-cuda-nvrtc-cu12[cuda-dev]
- nvidia-cuda-nvrtc-cu12[all]
- nvidia-cuda-nvrtc-cu12[gpu]
- nvidia-cuda-nvrtc-cu12[opifex-dev]
- nvidia-cuda-runtime-cu12[cuda-dev]
- nvidia-cuda-runtime-cu12[gpu]
- nvidia-cuda-runtime-cu12[opifex-dev]
- nvidia-cuda-runtime-cu12[all]
- nvidia-cudnn-cu12[all]
- nvidia-cudnn-cu12[gpu]
- nvidia-cudnn-cu12[opifex-dev]
- nvidia-cudnn-cu12[cuda-dev]
- nvidia-cufft-cu12[all]
- nvidia-cufft-cu12[gpu]
- nvidia-cufft-cu12[opifex-dev]
- nvidia-cufft-cu12[cuda-dev]
- nvidia-curand-cu12[cuda-dev]
- nvidia-curand-cu12[gpu]
- nvidia-curand-cu12[opifex-dev]
- nvidia-curand-cu12[all]
- nvidia-cusolver-cu12[all]
- nvidia-cusolver-cu12[cuda-dev]
- nvidia-cusolver-cu12[opifex-dev]
- nvidia-cusolver-cu12[gpu]
- nvidia-cusparse-cu12[cuda-dev]
- nvidia-cusparse-cu12[opifex-dev]
- nvidia-cusparse-cu12[gpu]
- nvidia-cusparse-cu12[all]
- nvidia-nccl-cu12[opifex-dev]
- nvidia-nccl-cu12[all]
- nvidia-nccl-cu12[cuda-dev]
- nvidia-nccl-cu12[gpu]
- nvidia-nvjitlink-cu12[cuda-dev]
- nvidia-nvjitlink-cu12[all]
- nvidia-nvjitlink-cu12[gpu]
- nvidia-nvjitlink-cu12[opifex-dev]
- nvidia-nvtx-cu12[gpu]
- nvidia-nvtx-cu12[all]
- nvidia-nvtx-cu12[opifex-dev]
- nvidia-nvtx-cu12[cuda-dev]
- pandas[pdebench]
- pgcli[all]
- pgcli[platform]
- pip-audit[all-macos]
- pip-audit[opifex-dev]
- pip-audit[dev]
- pip-audit[all-cpu]
- pip-audit[all]
- pip-audit[cuda-dev]
- pre-commit[all-macos]
- pre-commit[all-cpu]
- pre-commit[all]
- pre-commit[cuda-dev]
- pre-commit[dev]
- pre-commit[opifex-dev]
- prometheus-client[all]
- prometheus-client[platform]
- psycopg2-binary[all]
- psycopg2-binary[platform]
- pydeps[dev]
- pydeps[opifex-dev]
- pydeps[cuda-dev]
- pydeps[all-macos]
- pydeps[all-cpu]
- pydeps[all]
- pymdown-extensions[all-macos]
- pymdown-extensions[docs]
- pymdown-extensions[all]
- pymdown-extensions[all-cpu]
- pyright[dev]
- pyright[opifex-dev]
- pyright[all]
- pyright[all-cpu]
- pyright[all-macos]
- pyright[cuda-dev]
- pyscf[opifex-dev]
- pyscf[neural-dft]
- pytest[all]
- pytest[all-macos]
- pytest[cuda-dev]
- pytest[dev]
- pytest[test]
- pytest[opifex-dev]
- pytest[all-cpu]
- pytest-asyncio[all-cpu]
- pytest-asyncio[all]
- pytest-asyncio[all-macos]
- pytest-asyncio[cuda-dev]
- pytest-asyncio[dev]
- pytest-asyncio[opifex-dev]
- pytest-asyncio[test]
- pytest-benchmark[all-cpu]
- pytest-benchmark[all-macos]
- pytest-benchmark[cuda-dev]
- pytest-benchmark[dev]
- pytest-benchmark[opifex-dev]
- pytest-benchmark[test]
- pytest-benchmark[all]
- pytest-cov[all-cpu]
- pytest-cov[all-macos]
- pytest-cov[cuda-dev]
- pytest-cov[dev]
- pytest-cov[opifex-dev]
- pytest-cov[test]
- pytest-cov[all]
- pytest-env[test]
- pytest-env[opifex-dev]
- pytest-env[dev]
- pytest-env[cuda-dev]
- pytest-env[all-macos]
- pytest-env[all-cpu]
- pytest-env[all]
- pytest-json-report[all]
- pytest-json-report[all-macos]
- pytest-json-report[cuda-dev]
- pytest-json-report[dev]
- pytest-json-report[opifex-dev]
- pytest-json-report[test]
- pytest-json-report[all-cpu]
- pytest-randomly[all]
- pytest-randomly[all-cpu]
- pytest-randomly[all-macos]
- pytest-randomly[cuda-dev]
- pytest-randomly[dev]
- pytest-randomly[opifex-dev]
- pytest-randomly[test]
- pytest-timeout[opifex-dev]
- pytest-timeout[test]
- pytest-timeout[all]
- pytest-timeout[all-cpu]
- pytest-timeout[all-macos]
- pytest-timeout[cuda-dev]
- pytest-timeout[dev]
- pytest-xdist[opifex-dev]
- pytest-xdist[dev]
- pytest-xdist[cuda-dev]
- pytest-xdist[all-macos]
- pytest-xdist[all-cpu]
- pytest-xdist[all]
- pytest-xdist[test]
- python-dotenv[all-cpu]
- python-dotenv[all-macos]
- python-dotenv[cuda-dev]
- python-dotenv[dev]
- python-dotenv[opifex-dev]
- python-dotenv[all]
- qcelemental[quantum-chemistry]
- qcelemental[opifex-dev]
- qcengine[opifex-dev]
- qcengine[quantum-chemistry]
- radon[all]
- radon[cuda-dev]
- radon[all-macos]
- radon[dev]
- radon[opifex-dev]
- radon[all-cpu]
- redis[all]
- redis[platform]
- rich[all]
- rich[all-cpu]
- rich[all-macos]
- rich[cuda-dev]
- rich[dev]
- rich[opifex-dev]
- ruff[all-cpu]
- ruff[all-macos]
- ruff[cuda-dev]
- ruff[dev]
- ruff[opifex-dev]
- ruff[all]
- sqlalchemy[all]
- sqlalchemy[platform]
- tensorboard-plugin-profile[profiling]
- tensorboard-plugin-profile[all-cpu]
- tensorboard-plugin-profile[all]
- tensorflow[all-cpu]
- tensorflow[all]
- tensorflow[profiling]
- torch[pdebench]
- twine[all-cpu]
- twine[all]
- twine[all-macos]
- twine[cuda-dev]
- twine[dev]
- twine[opifex-dev]
- uvicorn[all]
- uvicorn[platform]