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Dependencies
- ase >=3.23.0
- click >=8.0.0
- findiff <0.14.0,>=0.13.1
- joblib >=1.3.0
- mace-torch <0.4.0,>=0.3.15
- mpmath <2.0.0,>=1.3.0
- msgpack <2.0.0,>=1.1.1
- networkx <4.0.0,>=3.4.2
- numba >=0.59.0
- numpy >=2.0.0
- pandas <3.0.0,>=2.2.0
- pbr <8.0.0,>=7.0.3
- plotly >=5.0.0
- psutil <8.0.0,>=7.2.2
- pyparsing <4.0.0,>=3.3.2
- pyscf <3.0.0,>=2.12.1
- pysmiles <3.0.0,>=2.0.1
- python-igraph >=0.11.0
- qmllib <2.0.0,>=1.1.9
- scipy >=1.12.0
- setuptools <83.0.0,>=82.0.0
- streamlit >=1.30.0
- structlog >=24.0.0
- tqdm <5.0.0,>=4.67.3
- tzdata <2026.0,>=2025.3