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Dependencies
- cython >=0.24
- matplotlib >=1.5.1
- mdtraj >=1.7
- numpy >=2.3.0
- pandas
- psutil >=5.2.2
- pyyaml
- scikit-learn >=0.23.2
- scipy >=0.17
- tables >=3.2
6 optional dependencies
- mpi4py[mpi]
- numpydoc[docs]
- pytest[dev]
- sphinx[docs]
- sphinxcontrib-websupport[docs]
- sphinx-rtd-theme[docs]