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Dependencies
- ase >=3.24.0
- mdanalysis >=2.8.0
- pandas >=2.2.3
- pint >=0.23.0
- rdkit2ase >=0.1.4
- scipy >=1.15.1
- seaborn >=0.13.2
- tidynamics >=1.1.2
- znh5md >=0.4.3
- zntrack >=0.8.4