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Dependencies
- lark >=1.3.1
- numpy >=2.0
- pint >=0.24
- python-igraph >=1.0.0
17 optional dependencies
- fastmcp[mcp]
- h5py[hdf5]
- matplotlib[doc]
- mkdocs[doc]
- mkdocs-jupyter[doc]
- mkdocs-material[doc]
- mkdocstrings[doc]
- molcrafts-molpy[all]
- packmol[doc]
- pre-commit[dev]
- pytest[dev]
- pytest-cov[dev]
- pytest-mock[dev]
- rdkit[dev]
- rdkit[doc]
- scienceplots[doc]
- zarr[zarr]