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Dependencies
- deeptime <0.5,>=0.4.5
- mdtraj <2.0,>=1.9
- mlcolvar >=1.2
- numpy <2.4,>=1.24
- openmm <9.0,>=8.1
- pandas <3.0,>=1.5
- psutil <6.1,>=5.9
- pygount <3.2,>=2.6
- pyyaml <7.0,>=6.0
- rdkit <2025.0,>=2024.03.1
- scikit-learn <2.0,>=1.2
- scipy <2.0,>=1.10
- tomli <3.0,>=2.0
- typing-extensions >=4.8
22 optional dependencies
- black[all]
- black[fixer]
- deeptime[analysis]
- deeptime[mlcv]
- deeptime[all]
- isort[all]
- isort[fixer]
- lightning[mlcv]
- lightning[all]
- matplotlib[app]
- matplotlib[analysis]
- matplotlib[all]
- pdbfixer[all]
- pdbfixer[fixer]
- plotly[app]
- plotly[all]
- ruff[all]
- ruff[fixer]
- streamlit[app]
- streamlit[all]
- torch[all]
- torch[mlcv]