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Dependencies
- ase >=3.22.0
- asyncio >=3.4.3
- chemeleon-dng >=0.1.2
- click >=8.1.0
- fastapi >=0.104.0
- fastmcp >=0.5.0
- httpx >=0.24.0
- mace-torch >=0.3.0
- numpy >=1.24.0
- openai >=1.0.0
- openai-agents >=0.0.16
- pandas >=2.0.0
- prompt-toolkit >=3.0.0
- pydantic >=2.0.0
- pymatgen >=2024.1.0
- python-dotenv >=1.0.0
- python-mcp >=1.0.0
- pyyaml >=6.0.0
- requests >=2.31.0
- rich >=13.0.0
- scipy >=1.11.0
- smact >=3.0.0
- starlette >=0.27.0
- toml >=0.10.0
- torch >=2.1.0
- tqdm >=4.66.0
- typer >=0.12.0
- typing-extensions >=4.5.0
- uvicorn >=0.23.0
- websockets >=11.0.0
15 optional dependencies
- build[dev]
- crystalyse[all]
- kaleido[visualization]
- matplotlib[visualization]
- mypy[dev]
- plotly[visualization]
- py3dmol[visualization]
- pymatviz[visualization]
- pytest[dev]
- pytest-asyncio[dev]
- pytest-cov[dev]
- pytest-mock[dev]
- ruff[dev]
- seaborn[visualization]
- twine[dev]