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Dependencies
- fastapi >=0.110
- httpx >=0.27
- jsonschema >=4.21
- networkx >=3.2
- numpy >=1.26
- orjson >=3.10
- pandas >=2.2
- pint >=0.23
- pydantic >=2.6
- pydantic-settings >=2.2
- python-multipart >=0.0.9
- rdflib >=7.0
- rich >=13.7
- scipy >=1.12
- structlog >=24.1
- typer >=0.12
- uvicorn >=0.29
27 optional dependencies
- ase[gpu]
- ase[materials-extras]
- deepmd-kit[gpu]
- httpx[runpod]
- hypothesis[dev]
- mace-torch[gpu]
- mypy[dev]
- pennylane[gpu]
- pennylane-lightning[gpu]
- phonopy[gpu]
- phonopy[materials-extras]
- psutil[gpu]
- pycalphad[gpu]
- pycalphad[materials-extras]
- pymatgen[materials-extras]
- pymatgen[gpu]
- pyscf[gpu]
- pytest[dev]
- pytest-asyncio[dev]
- pytest-cov[dev]
- qiskit[gpu]
- qiskit-nature[gpu]
- ruff[dev]
- spglib[materials-extras]
- spglib[gpu]
- tenacity[runpod]
- torch[gpu]